2-(8-cyano-4b,8-dimethyl-10-oxidanylidene-6,7,8a,9-tetrahydro-5H-phenanthren-2-yl)propan-2-yl ethanoate

Systemtic Name: 2-(8-cyano-4b,8-dimethyl-10-oxidanylidene-6,7,8a,9-tetrahydro-5H-phenanthren-2-yl)propan-2-yl ethanoate Openeye Name: [1-(8-cyano-4b,8-dimethyl-10-oxo-6,7,8a,9-tetrahydro-5H-phenanthren-2-yl)-1-methyl-ethyl] acetate CAS Name: acetic acid 2-(8-cyano-4b,8-dimethyl-10-oxo-6,7,8a,9-tetrahydro-5H-phenanthren-2-yl)propan-2-yl ester IUPAC Name: 2-(8-cyano-4b,8-dimethyl-10-oxo-6,7,8a,9-tetrahydro-5H-phenanthren-2-yl)propan-2-yl acetate Traditional Name: acetic acid [1-(8-cyano-10-keto-4b,8-dimethyl-6,7,8a,9-tetrahydro-5H-phenanthren-2-yl)-1-methyl-ethyl] ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C#N)C

Isomeric SMILES

CC(=O)OC(C)(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C#N)C

InChI

InChI=1S/C22H27NO3/c1-14(24)26-20(2,3)15-7-8-17-16(11-15)18(25)12-19-21(4,13-23)9-6-10-22(17,19)5/h7-8,11,19H,6,9-10,12H2,1-5H3