2-(4-methylpentylcarbamoyl)benzoic acid

Systemtic Name: 2-(4-methylpentylcarbamoyl)benzoic acid Openeye Name: 2-(isohexylcarbamoyl)benzoic acid CAS Name: 2-[(4-methylpentylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(4-methylpentylcarbamoyl)benzoic acid Traditional Name: 2-(isohexylcarbamoyl)benzoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)CCCNC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H19NO3/c1-10(2)6-5-9-15-13(16)11-7-3-4-8-12(11)14(17)18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,15,16)(H,17,18)