[(7S)-7-cyano-4a,7-dimethyl-8-(2-oxidanylideneethyl)-6,8-dihydrophenanthren-2-yl] ethanoate

Systemtic Name: [(7S)-7-cyano-4a,7-dimethyl-8-(2-oxidanylideneethyl)-6,8-dihydrophenanthren-2-yl] ethanoate Openeye Name: [(7S)-7-cyano-4a,7-dimethyl-8-(2-oxoethyl)-6,8-dihydrophenanthren-2-yl] acetate CAS Name: acetic acid [(7S)-7-cyano-4a,7-dimethyl-8-(2-oxoethyl)-6,8-dihydrophenanthren-2-yl] ester IUPAC Name: [(7S)-7-cyano-4a,7-dimethyl-8-(2-oxoethyl)-6,8-dihydrophenanthren-2-yl] acetate Traditional Name: acetic acid [(7S)-7-cyano-8-(2-ketoethyl)-4a,7-dimethyl-6,8-dihydrophenanthren-2-yl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=CC=C3C(C(CC=C3C2(C=C1)C)(C)C#N)CC=O

Isomeric SMILES

CC(=O)OC1=CC2=CC=C3C([C@@](CC=C3C2(C=C1)C)(C)C#N)CC=O

InChI

InChI=1S/C21H21NO3/c1-14(24)25-16-6-10-21(3)15(12-16)4-5-17-18(8-11-23)20(2,13-22)9-7-19(17)21/h4-7,10-12,18H,8-9H2,1-3H3/t18?,20-,21?/m1/s1