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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCCN

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCCN

InChI

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