2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexane-1-carboxylic acid

Systemtic Name: 2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexane-1-carboxylic acid Openeye Name: 2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexanecarboxylic acid CAS Name: 2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxycyclohexane-1-carboxylic acid Traditional Name: 2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexanecarboxylic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC(C(C2)C#N)(C(=O)O)OC)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC(C(C2)C#N)(C(=O)O)OC)OCC3CC3

InChI

InChI=1S/C20H25NO5/c1-24-17-6-5-14(10-18(17)26-12-13-3-4-13)15-7-8-20(25-2,19(22)23)16(9-15)11-21/h5-6,10,13,15-16H,3-4,7-9,12H2,1-2H3,(H,22,23)