2-cyano-7-(4-methylphenyl)heptanoic acid

Systemtic Name: 2-cyano-7-(4-methylphenyl)heptanoic acid Openeye Name: 2-cyano-7-(p-tolyl)heptanoic acid CAS Name: 2-cyano-7-(4-methylphenyl)heptanoic acid IUPAC Name: 2-cyano-7-(4-methylphenyl)heptanoic acid Traditional Name: 2-cyano-7-(p-tolyl)enanthic acid Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)5-3-2-4-6-14(11-16)15(17)18/h7-10,14H,2-6H2,1H3,(H,17,18)