(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 4-[2-(4-fluorophenyl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: (10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 4-[2-(4-fluorophenyl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 4-[2-(4-fluorophenyl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(4-fluorophenyl)ethylamino]-4-oxobutanoic acid (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 4-[2-(4-fluorophenyl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(4-fluorophenyl)ethylamino]-4-keto-butyric acid (3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C31H40FNO4 MolecularWeight: 509.652003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)CCC(=O)NCCC4=CC=C(C=C4)F)CCC5=CC(=O)CCC35C

Isomeric SMILES

CC12CCC3C(C1CCC2OC(=O)CCC(=O)NCCC4=CC=C(C=C4)F)CCC5=CC(=O)CCC35C

InChI

InChI=1S/C31H40FNO4/c1-30-16-13-23(34)19-21(30)5-8-24-25-9-10-27(31(25,2)17-14-26(24)30)37-29(36)12-11-28(35)33-18-15-20-3-6-22(32)7-4-20/h3-4,6-7,19,24-27H,5,8-18H2,1-2H3,(H,33,35)