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

Systemtic Name: methyl 3-(3-azanylpropanoylamino)-2-methyl-benzoate Openeye Name: methyl 3-(3-aminopropanoylamino)-2-methyl-benzoate CAS Name: 3-[(3-amino-1-oxopropyl)amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(3-aminopropanoylamino)-2-methylbenzoate Traditional Name: 3-(3-aminopropanoylamino)-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)CCN)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-8-9(12(16)17-2)4-3-5-10(8)14-11(15)6-7-13/h3-5H,6-7,13H2,1-2H3,(H,14,15)