4-(4-bromophenyl)-4-cyano-5-methyl-hexanoic acid

Systemtic Name: 4-(4-bromophenyl)-4-cyano-5-methyl-hexanoic acid Openeye Name: 4-(4-bromophenyl)-4-cyano-5-methyl-hexanoic acid CAS Name: 4-(4-bromophenyl)-4-cyano-5-methylhexanoic acid IUPAC Name: 4-(4-bromophenyl)-4-cyano-5-methylhexanoic acid Traditional Name: 4-(4-bromophenyl)-4-cyano-5-methyl-hexanoic acid Formula: C14H16BrNO2 MolecularWeight: 310.18634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO2/c1-10(2)14(9-16,8-7-13(17)18)11-3-5-12(15)6-4-11/h3-6,10H,7-8H2,1-2H3,(H,17,18)