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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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