3-(2-azanylbutanoylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(2-azanylbutanoylamino)-4-methyl-benzoic acid Openeye Name: 3-(2-aminobutanoylamino)-4-methyl-benzoic acid CAS Name: 3-[(2-amino-1-oxobutyl)amino]-4-methylbenzoic acid IUPAC Name: 3-(2-aminobutanoylamino)-4-methylbenzoic acid Traditional Name: 3-(2-aminobutanoylamino)-4-methyl-benzoic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)N

InChI

InChI=1S/C12H16N2O3/c1-3-9(13)11(15)14-10-6-8(12(16)17)5-4-7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)(H,16,17)