methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexanecarboxylate CAS Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxycyclohexane-1-carboxylate Traditional Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-methoxy-cyclohexanecarboxylic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-24-17-7-6-16(12-18(17)27-13-15-4-5-15)20(14-22)8-10-21(26-3,11-9-20)19(23)25-2/h6-7,12,15H,4-5,8-11,13H2,1-3H3