3,4-bis(3-methylbutanoylamino)benzoic acid

Systemtic Name: 3,4-bis(3-methylbutanoylamino)benzoic acid Openeye Name: 3,4-bis(3-methylbutanoylamino)benzoic acid CAS Name: 3,4-bis[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 3,4-bis(3-methylbutanoylamino)benzoic acid Traditional Name: 3,4-bis(isovalerylamino)benzoic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(C)C

InChI

InChI=1S/C17H24N2O4/c1-10(2)7-15(20)18-13-6-5-12(17(22)23)9-14(13)19-16(21)8-11(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)