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

Systemtic Name: (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@]2(CCC[C@H](C2)C(=O)O)C#N)OCC3CC3

InChI

InChI=1S/C19H23NO4/c1-23-15-6-7-16(17(9-15)24-11-13-4-5-13)19(12-20)8-2-3-14(10-19)18(21)22/h6-7,9,13-14H,2-5,8,10-11H2,1H3,(H,21,22)/t14-,19-/m1/s1