4-(4-chlorophenyl)-4-cyano-3,3-dimethyl-heptanoic acid

Systemtic Name: 4-(4-chlorophenyl)-4-cyano-3,3-dimethyl-heptanoic acid Openeye Name: 4-(4-chlorophenyl)-4-cyano-3,3-dimethyl-heptanoic acid CAS Name: 4-(4-chlorophenyl)-4-cyano-3,3-dimethylheptanoic acid IUPAC Name: 4-(4-chlorophenyl)-4-cyano-3,3-dimethylheptanoic acid Traditional Name: 4-(4-chlorophenyl)-4-cyano-3,3-dimethyl-enanthic acid Formula: C16H20ClNO2 MolecularWeight: 293.7885

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C1=CC=C(C=C1)Cl)C(C)(C)CC(=O)O

Isomeric SMILES

CCCC(C#N)(C1=CC=C(C=C1)Cl)C(C)(C)CC(=O)O

InChI

InChI=1S/C16H20ClNO2/c1-4-9-16(11-18,15(2,3)10-14(19)20)12-5-7-13(17)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,19,20)