1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone (Q27183733)

MLS000766496 (English)

10 October 2016

chemical formula

C₃₅H₃₇N₃O₅

1 reference

MLS000766496 (English)

10 October 2016

canonical SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C3CC(OC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC6=CC=C(C=C6)CO

1 reference

MLS000766496 (English)

10 October 2016

isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C[C@@H](OC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC6=CC=C(C=C6)CO

1 reference

MLS000766496 (English)

InChI=1S/C35H37N3O5/c1-25(40)38-22-31(30-9-5-6-10-32(30)38)29-19-33(43-34(20-29)42-24-28-13-11-27(23-39)12-14-28)35(41)37-17-15-36(16-18-37)21-26-7-3-2-4-8-26/h2-14,19,22,29,34,39H,15-18,20-21,23-24H2,1H3/t29-,34+/m0/s1

10 October 2016

Identifiers

InChI

1 reference

MLS000766496 (English)

VTQGVLJZPVITEX-ZBWWXOROSA-N

10 October 2016

InChIKey

2 references

MLS000766496 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-{3-[(2R,4R)-6-[(4-Benzyl-1-piperazinyl)carbonyl]-2-{[4-(hydroxymethyl)benzyl]oxy}-3,4-dihydro-2H-pyran-4-yl]-1H-indol-1-yl}ethanone (English)

10 October 2016

1 reference

MLS000766496 (English)

10 October 2016

ChEBI ID

105941

mapping relation type

1 reference

1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone (English)

10 October 2016

1 reference