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

Systemtic Name: 3-(2-azanylpentanoylamino)-4-methyl-benzoic acid Openeye Name: 3-(2-aminopentanoylamino)-4-methyl-benzoic acid CAS Name: 3-[(2-amino-1-oxopentyl)amino]-4-methylbenzoic acid IUPAC Name: 3-(2-aminopentanoylamino)-4-methylbenzoic acid Traditional Name: 3-(2-aminopentanoylamino)-4-methyl-benzoic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-3-4-10(14)12(16)15-11-7-9(13(17)18)6-5-8(11)2/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)