methyl 3-(2-azanylpropanoylamino)-2-methyl-benzoate

Systemtic Name: methyl 3-(2-azanylpropanoylamino)-2-methyl-benzoate Openeye Name: methyl 3-(2-aminopropanoylamino)-2-methyl-benzoate CAS Name: 3-[(2-amino-1-oxopropyl)amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(2-aminopropanoylamino)-2-methylbenzoate Traditional Name: 3-(alanylamino)-2-methyl-benzoic acid methyl ester Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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