dimethyl 4-cyano-4-(3-methoxyphenyl)heptanedioate

Systemtic Name: dimethyl 4-cyano-4-(3-methoxyphenyl)heptanedioate Openeye Name: dimethyl 4-cyano-4-(3-methoxyphenyl)heptanedioate CAS Name: 4-cyano-4-(3-methoxyphenyl)heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-(3-methoxyphenyl)heptanedioate Traditional Name: 4-cyano-4-(3-methoxyphenyl)pimelic acid dimethyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-21-14-6-4-5-13(11-14)17(12-18,9-7-15(19)22-2)10-8-16(20)23-3/h4-6,11H,7-10H2,1-3H3