[(3S,10R,13S,16Z)-16-[[3-(3-imidazol-1-ylpropoxy)phenyl]methylidene]-10,13-dimethyl-17-oxidanylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,10R,13S,16Z)-16-[[3-(3-imidazol-1-ylpropoxy)phenyl]methylidene]-10,13-dimethyl-17-oxidanylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,10R,13S,16Z)-16-[[3-(3-imidazol-1-ylpropoxy)phenyl]methylene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,10R,13S,16Z)-16-[[3-[3-(1-imidazolyl)propoxy]phenyl]methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10R,13S,16Z)-16-[[3-(3-imidazol-1-ylpropoxy)phenyl]methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,10R,13S,16Z)-16-[3-(3-imidazol-1-ylpropoxy)benzylidene]-17-keto-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C34H42N2O4 MolecularWeight: 542.70828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=CC=C5)OCCCN6C=CN=C6)C4=O)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)C/C(=C/C5=CC(=CC=C5)OCCCN6C=CN=C6)/C4=O)C)C

InChI

InChI=1S/C34H42N2O4/c1-23(37)40-28-10-12-33(2)26(21-28)8-9-29-30(33)11-13-34(3)31(29)20-25(32(34)38)18-24-6-4-7-27(19-24)39-17-5-15-36-16-14-35-22-36/h4,6-8,14,16,18-19,22,28-31H,5,9-13,15,17,20-21H2,1-3H3/b25-18-/t28-,29?,30?,31?,33-,34-/m0/s1