[2-[6,13-dimethyl-11-(4-morpholin-4-ylphenyl)-3-oxidanylidene-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-11-(4-morpholin-4-ylphenyl)-3-oxidanylidene-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-11-(4-morpholinophenyl)-3-oxo-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-11-[4-(4-morpholinyl)phenyl]-3-oxo-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-11-(4-morpholin-4-ylphenyl)-3-oxo-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-morpholinophenyl)-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: C36H40F3NO5 MolecularWeight: 623.70171

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC(C3(CC(C2=C4C1=CC(=O)CC4)C5=CC=C(C=C5)N6CCOCC6)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)N6CCOCC6)C)(C#CC(F)(F)F)C(=O)COC(=O)C

InChI

InChI=1S/C36H40F3NO5/c1-22-18-29-31-10-11-35(12-13-36(37,38)39,32(43)21-45-23(2)41)34(31,3)20-30(33(29)27-9-8-26(42)19-28(22)27)24-4-6-25(7-5-24)40-14-16-44-17-15-40/h4-7,19,22,29-31H,8-11,14-18,20-21H2,1-3H3