[(4S,4aR)-4-cyano-4a,8,8-trimethyl-7-oxidanylidene-3,4,5,6-tetrahydro-2H-naphthalen-2-yl] ethanoate

Systemtic Name: [(4S,4aR)-4-cyano-4a,8,8-trimethyl-7-oxidanylidene-3,4,5,6-tetrahydro-2H-naphthalen-2-yl] ethanoate Openeye Name: [(4S,4aR)-4-cyano-4a,8,8-trimethyl-7-oxo-3,4,5,6-tetrahydro-2H-naphthalen-2-yl] acetate CAS Name: acetic acid [(4S,4aR)-4-cyano-4a,8,8-trimethyl-7-oxo-3,4,5,6-tetrahydro-2H-naphthalen-2-yl] ester IUPAC Name: [(4S,4aR)-4-cyano-4a,8,8-trimethyl-7-oxo-3,4,5,6-tetrahydro-2H-naphthalen-2-yl] acetate Traditional Name: acetic acid [(4S,4aR)-4-cyano-7-keto-4a,8,8-trimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C2(CCC(=O)C(C2=C1)(C)C)C)C#N

Isomeric SMILES

CC(=O)OC1C[C@@H]([C@]2(CCC(=O)C(C2=C1)(C)C)C)C#N

InChI

InChI=1S/C16H21NO3/c1-10(18)20-12-7-11(9-17)16(4)6-5-14(19)15(2,3)13(16)8-12/h8,11-12H,5-7H2,1-4H3/t11-,12?,16-/m1/s1