4-methyl-2-(4-methylpentylcarbamoyl)benzoic acid

Systemtic Name: 4-methyl-2-(4-methylpentylcarbamoyl)benzoic acid Openeye Name: 2-(isohexylcarbamoyl)-4-methyl-benzoic acid CAS Name: 4-methyl-2-[(4-methylpentylamino)-oxomethyl]benzoic acid IUPAC Name: 4-methyl-2-(4-methylpentylcarbamoyl)benzoic acid Traditional Name: 2-(isohexylcarbamoyl)-4-methyl-benzoic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)NCCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)NCCCC(C)C

InChI

InChI=1S/C15H21NO3/c1-10(2)5-4-8-16-14(17)13-9-11(3)6-7-12(13)15(18)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)(H,18,19)