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

Systemtic Name: [2-[13-methyl-3-oxidanylidene-17-prop-1-ynyl-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[13-methyl-3-oxo-17-prop-1-ynyl-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[13-methyl-3-oxo-17-prop-1-ynyl-11-[4-(1-pyrrolidinyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[13-methyl-3-oxo-17-prop-1-ynyl-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-keto-2-[3-keto-13-methyl-17-prop-1-ynyl-11-(4-pyrrolidinophenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C35H41NO4 MolecularWeight: 539.70434

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCCC6)C)C(=O)COC(=O)C

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCCC6)C)C(=O)COC(=O)C

InChI

InChI=1S/C35H41NO4/c1-4-16-35(32(39)22-40-23(2)37)17-15-31-29-13-9-25-20-27(38)12-14-28(25)33(29)30(21-34(31,35)3)24-7-10-26(11-8-24)36-18-5-6-19-36/h7-8,10-11,20,29-31H,5-6,9,12-15,17-19,21-22H2,1-3H3