2-[4-chloranyl-13-methyl-3,17-bis(oxidanyl)-11-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen carbonate

Systemtic Name: 2-[4-chloranyl-13-methyl-3,17-bis(oxidanyl)-11-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen carbonate Openeye Name: 2-[4-chloro-3,17-dihydroxy-13-methyl-11-[4-[2-(1-piperidyl)ethoxy]phenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen carbonate CAS Name: carbonic acid 2-[4-chloro-3,17-dihydroxy-13-methyl-11-[4-[2-(1-piperidinyl)ethoxy]phenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl ester IUPAC Name: 2-[4-chloro-3,17-dihydroxy-13-methyl-11-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl hydrogen carbonate Traditional Name: carbonic acid 2-[4-chloro-3,17-dihydroxy-13-methyl-11-[4-(2-piperidinoethoxy)phenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl ester Formula: C34H44ClNO6 MolecularWeight: 598.16926

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(CCOC(=O)O)O)CCC4=C3C=CC(=C4Cl)O)C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

CC12CC(C3C(C1CCC2(CCOC(=O)O)O)CCC4=C3C=CC(=C4Cl)O)C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C34H44ClNO6/c1-33-21-27(22-5-7-23(8-6-22)41-20-18-36-16-3-2-4-17-36)30-24-11-12-29(37)31(35)25(24)9-10-26(30)28(33)13-14-34(33,40)15-19-42-32(38)39/h5-8,11-12,26-28,30,37,40H,2-4,9-10,13-21H2,1H3,(H,38,39)