methyl 3-(4-azanylbutanoylamino)-2-methyl-benzoate

Systemtic Name: methyl 3-(4-azanylbutanoylamino)-2-methyl-benzoate Openeye Name: methyl 3-(4-aminobutanoylamino)-2-methyl-benzoate CAS Name: 3-[(4-amino-1-oxobutyl)amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(4-aminobutanoylamino)-2-methylbenzoate Traditional Name: 3-(4-aminobutanoylamino)-2-methyl-benzoic acid methyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCCN)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCCN)C(=O)OC

InChI

InChI=1S/C13H18N2O3/c1-9-10(13(17)18-2)5-3-6-11(9)15-12(16)7-4-8-14/h3,5-6H,4,7-8,14H2,1-2H3,(H,15,16)