[2-[6-fluoranyl-13-methyl-3-oxidanylidene-11-(4-piperidin-1-ylphenyl)-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-fluoranyl-13-methyl-3-oxidanylidene-11-(4-piperidin-1-ylphenyl)-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-fluoro-13-methyl-3-oxo-11-[4-(1-piperidyl)phenyl]-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-fluoro-13-methyl-3-oxo-11-[4-(1-piperidinyl)phenyl]-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-fluoro-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-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-[6-fluoro-3-keto-13-methyl-11-(4-piperidinophenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C36H42FNO4 MolecularWeight: 571.721383

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)F)C5=CC=C(C=C5)N6CCCCC6)C)C(=O)COC(=O)C

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4C(CC23)F)C5=CC=C(C=C5)N6CCCCC6)C)C(=O)COC(=O)C

InChI

InChI=1S/C36H42FNO4/c1-4-15-36(33(41)22-42-23(2)39)16-14-31-29-20-32(37)28-19-26(40)12-13-27(28)34(29)30(21-35(31,36)3)24-8-10-25(11-9-24)38-17-6-5-7-18-38/h8-11,19,29-32H,5-7,12-14,16-18,20-22H2,1-3H3