dimethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]heptanedioate

Systemtic Name: dimethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]heptanedioate Openeye Name: dimethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]heptanedioate CAS Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]heptanedioate Traditional Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]pimelic acid dimethyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)OCC2CC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)OCC2CC2

InChI

InChI=1S/C21H27NO6/c1-25-17-7-6-16(12-18(17)28-13-15-4-5-15)21(14-22,10-8-19(23)26-2)11-9-20(24)27-3/h6-7,12,15H,4-5,8-11,13H2,1-3H3