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

Systemtic Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-hydroxy-cyclohexanecarboxylic acid CAS Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-hydroxycyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-hydroxy-cyclohexanecarboxylic acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5/c1-24-15-5-4-14(10-16(15)25-11-13-2-3-13)18(12-20)6-8-19(23,9-7-18)17(21)22/h4-5,10,13,23H,2-3,6-9,11H2,1H3,(H,21,22)