[17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-7-(1,1,2,2-tetracyanoethyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-7-(1,1,2,2-tetracyanoethyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [10,13-dimethyl-7-(1,1,2,2-tetracyanoethyl)-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-7-(1,1,2,2-tetracyanoethyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-7-(1,1,2,2-tetracyanoethyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [10,13-dimethyl-7-(1,1,2,2-tetracyanoethyl)-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C36H46N4O2 MolecularWeight: 566.77604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C=CC(C)C1CCC2=C3C(CCC12C)C4(CCC(CC4=CC3C(C#N)(C#N)C(C#N)C#N)OC(=O)C)C

Isomeric SMILES

CC(C)C(C)/C=C/C(C)C1CCC2=C3C(CCC12C)C4(CCC(CC4=CC3C(C#N)(C#N)C(C#N)C#N)OC(=O)C)C

InChI

InChI=1S/C36H46N4O2/c1-22(2)23(3)8-9-24(4)29-10-11-30-33-31(13-15-35(29,30)7)34(6)14-12-28(42-25(5)41)16-26(34)17-32(33)36(20-39,21-40)27(18-37)19-38/h8-9,17,22-24,27-29,31-32H,10-16H2,1-7H3/b9-8+