[2-[6,13-dimethyl-3-oxidanylidene-11-(4-pyrrolidin-1-ylphenyl)-17-[3,3,3-tris(fluoranyl)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-[6,13-dimethyl-3-oxidanylidene-11-(4-pyrrolidin-1-ylphenyl)-17-[3,3,3-tris(fluoranyl)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-[6,13-dimethyl-3-oxo-11-(4-pyrrolidin-1-ylphenyl)-17-(3,3,3-trifluoroprop-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-[6,13-dimethyl-3-oxo-11-[4-(1-pyrrolidinyl)phenyl]-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[6,13-dimethyl-3-oxo-11-(4-pyrrolidin-1-ylphenyl)-17-(3,3,3-trifluoroprop-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-keto-2-[3-keto-6,13-dimethyl-11-(4-pyrrolidinophenyl)-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C36H40F3NO4 MolecularWeight: 607.70231

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC(C3(CC(C2=C4C1=CC(=O)CC4)C5=CC=C(C=C5)N6CCCC6)C)(C#CC(F)(F)F)C(=O)COC(=O)C

Isomeric SMILES

CC1CC2C3CCC(C3(CC(C2=C4C1=CC(=O)CC4)C5=CC=C(C=C5)N6CCCC6)C)(C#CC(F)(F)F)C(=O)COC(=O)C

InChI

InChI=1S/C36H40F3NO4/c1-22-18-29-31-12-13-35(14-15-36(37,38)39,32(43)21-44-23(2)41)34(31,3)20-30(33(29)27-11-10-26(42)19-28(22)27)24-6-8-25(9-7-24)40-16-4-5-17-40/h6-9,19,22,29-31H,4-5,10-13,16-18,20-21H2,1-3H3