4-(2-chlorophenyl)-4-cyano-5-methyl-hexanoic acid

Systemtic Name: 4-(2-chlorophenyl)-4-cyano-5-methyl-hexanoic acid Openeye Name: 4-(2-chlorophenyl)-4-cyano-5-methyl-hexanoic acid CAS Name: 4-(2-chlorophenyl)-4-cyano-5-methylhexanoic acid IUPAC Name: 4-(2-chlorophenyl)-4-cyano-5-methylhexanoic acid Traditional Name: 4-(2-chlorophenyl)-4-cyano-5-methyl-hexanoic acid Formula: C14H16ClNO2 MolecularWeight: 265.73534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)O)(C#N)C1=CC=CC=C1Cl

Isomeric SMILES

CC(C)C(CCC(=O)O)(C#N)C1=CC=CC=C1Cl

InChI

InChI=1S/C14H16ClNO2/c1-10(2)14(9-16,8-7-13(17)18)11-5-3-4-6-12(11)15/h3-6,10H,7-8H2,1-2H3,(H,17,18)