(3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide (Q27462669)

CID46931234 (English)

19 October 2016

chemical formula

C₃₄H₃₉Cl₃N₄O₃

1 reference

CID46931234 (English)

19 October 2016

canonical SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(C=C2)C3CCNCC3C(=O)N(CC4=C(C=CC(=C4)CNC5CC5)Cl)C6CC6)Cl

1 reference

CID46931234 (English)

19 October 2016

isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(C=C2)[C@H]3CCNC[C@@H]3C(=O)N(CC4=C(C=CC(=C4)CNC5CC5)Cl)C6CC6)Cl

1 reference

CID46931234 (English)

InChI=1S/C34H39Cl3N4O3/c1-21-14-30(36)33(31(37)15-21)44-13-12-43-32-9-3-23(18-40-32)27-10-11-38-19-28(27)34(42)41(26-6-7-26)20-24-16-22(2-8-29(24)35)17-39-25-4-5-25/h2-3,8-9,14-16,18,25-28,38-39H,4-7,10-13,17,19-20H2,1H3/t27-,28+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CID46931234 (English)

MUNGQQYSICIEKG-IZLXSDGUSA-N

19 October 2016

InChIKey

1 reference

CID46931234 (English)

19 October 2016

1 reference

(3R,4S)-N-{2-Chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl}-3-piperidinecarboxamide (English)

19 October 2016

1 reference