2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide (Q27454766)

2-[2-[(R)-[(4-Carbamimidoylphenyl)amino]-(5-Ethoxy-2-Fluoranyl-3-Propan-2-Yloxy-Phenyl)methyl]-1h-Imidazol-4-Yl]benzamide (English)

19 October 2016

chemical formula

C₂₉H₃₁FN₆O₃

1 reference

2-[2-[(R)-[(4-Carbamimidoylphenyl)amino]-(5-Ethoxy-2-Fluoranyl-3-Propan-2-Yloxy-Phenyl)methyl]-1h-Imidazol-4-Yl]benzamide (English)

19 October 2016

canonical SMILES

CCOC1=CC(=C(C(=C1)C(C2=NC=C(N2)C3=CC=CC=C3C(=O)N)NC4=CC=C(C=C4)C(=N)N)F)OC(C)C

1 reference

2-[2-[(R)-[(4-Carbamimidoylphenyl)amino]-(5-Ethoxy-2-Fluoranyl-3-Propan-2-Yloxy-Phenyl)methyl]-1h-Imidazol-4-Yl]benzamide (English)

19 October 2016

isomeric SMILES

CCOC1=CC(=C(C(=C1)[C@H](C2=NC=C(N2)C3=CC=CC=C3C(=O)N)NC4=CC=C(C=C4)C(=N)N)F)OC(C)C

1 reference

2-[2-[(R)-[(4-Carbamimidoylphenyl)amino]-(5-Ethoxy-2-Fluoranyl-3-Propan-2-Yloxy-Phenyl)methyl]-1h-Imidazol-4-Yl]benzamide (English)

InChI=1S/C29H31FN6O3/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(35-18-11-9-17(10-12-18)27(31)32)29-34-15-23(36-29)20-7-5-6-8-21(20)28(33)37/h5-16,26,35H,4H2,1-3H3,(H3,31,32)(H2,33,37)(H,34,36)/t26-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

2-[2-[(R)-[(4-Carbamimidoylphenyl)amino]-(5-Ethoxy-2-Fluoranyl-3-Propan-2-Yloxy-Phenyl)methyl]-1h-Imidazol-4-Yl]benzamide (English)

KAQSSNYVMPKBOO-AREMUKBSSA-N

19 October 2016

InChIKey

1 reference

2-[2-[(R)-[(4-Carbamimidoylphenyl)amino]-(5-Ethoxy-2-Fluoranyl-3-Propan-2-Yloxy-Phenyl)methyl]-1h-Imidazol-4-Yl]benzamide (English)

19 October 2016

1 reference

2-{2-[(R)-[(4-Carbamimidoylphenyl)amino](5-ethoxy-2-fluoro-3-isopropoxyphenyl)methyl]-1H-imidazol-4-yl}benzamide (English)

19 October 2016

2 references

2-[2-[(R)-[(4-Carbamimidoylphenyl)amino]-(5-Ethoxy-2-Fluoranyl-3-Propan-2-Yloxy-Phenyl)methyl]-1h-Imidazol-4-Yl]benzamide (English)

matched by identifier from

19 October 2016

InChIKey

KAQSSNYVMPKBOO-AREMUKBSSA-N

1 reference

0 references

1 reference

4YT7 (English)