2-[5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxidanylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxidanylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxo-cyclohexyl]acetic acid CAS Name: 2-[5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxocyclohexyl]acetic acid IUPAC Name: 2-[5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxocyclohexyl]acetic acid Traditional Name: 2-[5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-keto-cyclohexyl]acetic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=O)C(C2)CC(=O)O)C#N)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=O)C(C2)CC(=O)O)C#N)OCC3CC3

InChI

InChI=1S/C20H23NO5/c1-25-17-5-4-15(9-18(17)26-11-13-2-3-13)20(12-21)7-6-16(22)14(10-20)8-19(23)24/h4-5,9,13-14H,2-3,6-8,10-11H2,1H3,(H,23,24)