3-(3-methylbutylcarbamoyl)benzoic acid

Systemtic Name: 3-(3-methylbutylcarbamoyl)benzoic acid Openeye Name: 3-(isopentylcarbamoyl)benzoic acid CAS Name: 3-[(3-methylbutylamino)-oxomethyl]benzoic acid IUPAC Name: 3-(3-methylbutylcarbamoyl)benzoic acid Traditional Name: 3-(isoamylcarbamoyl)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=CC=C1)C(=O)O

InChI

InChI=1S/C13H17NO3/c1-9(2)6-7-14-12(15)10-4-3-5-11(8-10)13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)(H,16,17)