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

Systemtic Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexanecarboxylic acid CAS Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxy-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxycyclohexane-1-carboxylic acid Traditional Name: 4-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)C2(CCC(CC2)(C(=O)O)OC)C#N)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)(C(=O)O)OC)C#N)OCC3CC3

InChI

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