[(3E,11R,13S,17R)-3-hydroxyimino-13-methyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(3E,11R,13S,17R)-3-hydroxyimino-13-methyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(3E,11R,13S,17R)-3-hydroxyimino-13-methyl-11-[4-(1-piperidyl)phenyl]-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(3E,11R,13S,17R)-3-hydroxyimino-13-methyl-17-(1-oxopropyl)-11-[4-(1-piperidinyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(3E,11R,13S,17R)-3-hydroxyimino-13-methyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(3E,11R,13S,17R)-3-hydroximino-13-methyl-11-(4-piperidinophenyl)-17-propionyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C34H44N2O4 MolecularWeight: 544.72416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCC2C1(CC(C3=C4CCC(=NO)C=C4CCC23)C5=CC=C(C=C5)N6CCCCC6)C)OC(=O)C

Isomeric SMILES

CCC(=O)[C@]1(CCC2[C@@]1(C[C@@H](C3=C4CC/C(=N\O)/C=C4CCC23)C5=CC=C(C=C5)N6CCCCC6)C)OC(=O)C

InChI

InChI=1S/C34H44N2O4/c1-4-31(38)34(40-22(2)37)17-16-30-28-14-10-24-20-25(35-39)11-15-27(24)32(28)29(21-33(30,34)3)23-8-12-26(13-9-23)36-18-6-5-7-19-36/h8-9,12-13,20,28-30,39H,4-7,10-11,14-19,21H2,1-3H3/b35-25+/t28?,29-,30?,33+,34+/m1/s1