methyl (1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,3S)-3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: (1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate Traditional Name: (1R,3S)-3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(C2)C(=O)OC)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@]2(CCC[C@H](C2)C(=O)OC)C#N)OC3CCCC3

InChI

InChI=1S/C21H27NO4/c1-24-18-10-9-16(12-19(18)26-17-7-3-4-8-17)21(14-22)11-5-6-15(13-21)20(23)25-2/h9-10,12,15,17H,3-8,11,13H2,1-2H3/t15-,21-/m1/s1