[2-[6,13-dimethyl-11-(4-morpholin-4-ylphenyl)-3-oxidanylidene-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-[6,13-dimethyl-11-(4-morpholin-4-ylphenyl)-3-oxidanylidene-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-[6,13-dimethyl-11-(4-morpholinophenyl)-3-oxo-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-[6,13-dimethyl-11-[4-(4-morpholinyl)phenyl]-3-oxo-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-[6,13-dimethyl-11-(4-morpholin-4-ylphenyl)-3-oxo-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-keto-2-[3-keto-6,13-dimethyl-11-(4-morpholinophenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C36H43NO5 MolecularWeight: 569.73032

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)C)C5=CC=C(C=C5)N6CCOCC6)C)C(=O)COC(=O)C

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)C)C5=CC=C(C=C5)N6CCOCC6)C)C(=O)COC(=O)C

InChI

InChI=1S/C36H43NO5/c1-5-13-36(33(40)22-42-24(3)38)14-12-32-30-19-23(2)29-20-27(39)10-11-28(29)34(30)31(21-35(32,36)4)25-6-8-26(9-7-25)37-15-17-41-18-16-37/h6-9,20,23,30-32H,10-12,14-19,21-22H2,1-4H3