4-cyano-4-(4-methylphenyl)heptanedioic acid

Systemtic Name: 4-cyano-4-(4-methylphenyl)heptanedioic acid Openeye Name: 4-cyano-4-(p-tolyl)heptanedioic acid CAS Name: 4-cyano-4-(4-methylphenyl)heptanedioic acid IUPAC Name: 4-cyano-4-(4-methylphenyl)heptanedioic acid Traditional Name: 4-cyano-4-(p-tolyl)pimelic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC(=O)O)(CCC(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(CCC(=O)O)(CCC(=O)O)C#N

InChI

InChI=1S/C15H17NO4/c1-11-2-4-12(5-3-11)15(10-16,8-6-13(17)18)9-7-14(19)20/h2-5H,6-9H2,1H3,(H,17,18)(H,19,20)