[2-[13-methyl-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-[13-methyl-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-[13-methyl-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-[13-methyl-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-[13-methyl-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-13-methyl-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: C35H38F3NO5 MolecularWeight: 609.67513

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCOCC6)C)C#CC(F)(F)F

Isomeric SMILES

CC(=O)OCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCOCC6)C)C#CC(F)(F)F

InChI

InChI=1S/C35H38F3NO5/c1-22(40)44-21-31(42)34(13-14-35(36,37)38)12-11-30-28-9-5-24-19-26(41)8-10-27(24)32(28)29(20-33(30,34)2)23-3-6-25(7-4-23)39-15-17-43-18-16-39/h3-4,6-7,19,28-30H,5,8-12,15-18,20-21H2,1-2H3