[2-(6-cyano-3-methoxy-10,13-dimethyl-11-oxidanylidene-1,2,7,8,9,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-(6-cyano-3-methoxy-10,13-dimethyl-11-oxidanylidene-1,2,7,8,9,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-(6-cyano-3-methoxy-10,13-dimethyl-11-oxo-1,2,7,8,9,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate CAS Name: acetic acid [2-(6-cyano-3-methoxy-10,13-dimethyl-11-oxo-1,2,7,8,9,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-cyano-3-methoxy-10,13-dimethyl-11-oxo-1,2,7,8,9,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate Traditional Name: acetic acid [2-(6-cyano-11-keto-3-methoxy-10,13-dimethyl-1,2,7,8,9,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-keto-ethyl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CC(=C4C3(CCC(=C4)OC)C)C#N)C

Isomeric SMILES

CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CC(=C4C3(CCC(=C4)OC)C)C#N)C

InChI

InChI=1S/C25H31NO5/c1-14(27)31-13-22(29)19-6-5-18-17-9-15(12-26)20-10-16(30-4)7-8-24(20,2)23(17)21(28)11-25(18,19)3/h10,17-19,23H,5-9,11,13H2,1-4H3