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

Systemtic Name: methyl (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexane-1-carboxylate Openeye Name: methyl (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate Traditional Name: (1R,3S)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-23-16-7-8-17(18(10-16)25-12-14-5-6-14)20(13-21)9-3-4-15(11-20)19(22)24-2/h7-8,10,14-15H,3-6,9,11-12H2,1-2H3/t15-,20-/m1/s1