O4-[17-(2-chloranylethynyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] O1-(4-dimethylaminophenyl) butanedioate

Systemtic Name: O4-[17-(2-chloranylethynyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] O1-(4-dimethylaminophenyl) butanedioate Openeye Name: O4-[17-(2-chloroethynyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] O1-(4-dimethylaminophenyl) butanedioate CAS Name: butanedioic acid O4-[17-(2-chloroethynyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester O1-(4-dimethylaminophenyl) ester IUPAC Name: 4-O-[17-(2-chloroethynyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] 1-O-(4-dimethylaminophenyl) butanedioate Traditional Name: succinic acid O4-[17-(2-chloroethynyl)-3-keto-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester O1-(4-dimethylaminophenyl) ester Formula: C32H36ClNO5 MolecularWeight: 550.08494

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(C#CCl)OC(=O)CCC(=O)OC5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(C#CCl)OC(=O)CCC(=O)OC5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C32H36ClNO5/c1-31-16-14-26-25-11-7-23(35)20-21(25)4-10-27(26)28(31)15-17-32(31,18-19-33)39-30(37)13-12-29(36)38-24-8-5-22(6-9-24)34(2)3/h5-6,8-9,20,27-28H,4,7,10-17H2,1-3H3