2-[(1S,3S)-3-cyano-6-(4-methoxyphenyl)-3-methyl-2-oxidanylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1S,3S)-3-cyano-6-(4-methoxyphenyl)-3-methyl-2-oxidanylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[(1S,3S)-3-cyano-6-(4-methoxyphenyl)-3-methyl-2-oxo-cyclohexyl]acetic acid CAS Name: 2-[(1S,3S)-3-cyano-6-(4-methoxyphenyl)-3-methyl-2-oxocyclohexyl]acetic acid IUPAC Name: 2-[(1S,3S)-3-cyano-6-(4-methoxyphenyl)-3-methyl-2-oxocyclohexyl]acetic acid Traditional Name: 2-[(1S,3S)-3-cyano-2-keto-6-(4-methoxyphenyl)-3-methyl-cyclohexyl]acetic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1=O)CC(=O)O)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

C[C@]1(CCC([C@@H](C1=O)CC(=O)O)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C17H19NO4/c1-17(10-18)8-7-13(14(16(17)21)9-15(19)20)11-3-5-12(22-2)6-4-11/h3-6,13-14H,7-9H2,1-2H3,(H,19,20)/t13?,14-,17-/m0/s1