[2-[(3Z)-3-hydroxyimino-13-methyl-11-(4-piperidin-1-ylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(3Z)-3-hydroxyimino-13-methyl-11-(4-piperidin-1-ylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(3Z)-3-hydroxyimino-13-methyl-11-[4-(1-piperidyl)phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(3Z)-3-hydroxyimino-13-methyl-11-[4-(1-piperidinyl)phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3Z)-3-hydroxyimino-13-methyl-11-(4-piperidin-1-ylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(3Z)-3-hydroximino-13-methyl-11-(4-piperidinophenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C36H44N2O4 MolecularWeight: 568.74556

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=NO)C=C4CCC23)C5=CC=C(C=C5)N6CCCCC6)C)C(=O)COC(=O)C

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3=C4CC/C(=N/O)/C=C4CCC23)C5=CC=C(C=C5)N6CCCCC6)C)C(=O)COC(=O)C

InChI

InChI=1S/C36H44N2O4/c1-4-17-36(33(40)23-42-24(2)39)18-16-32-30-14-10-26-21-27(37-41)11-15-29(26)34(30)31(22-35(32,36)3)25-8-12-28(13-9-25)38-19-6-5-7-20-38/h8-9,12-13,21,30-32,41H,5-7,10-11,14-16,18-20,22-23H2,1-3H3/b37-27-