3-(2-azanylpropanoylamino)propyl benzoate

Systemtic Name: 3-(2-azanylpropanoylamino)propyl benzoate Openeye Name: 3-(2-aminopropanoylamino)propyl benzoate CAS Name: benzoic acid 3-[(2-amino-1-oxopropyl)amino]propyl ester IUPAC Name: 3-(2-aminopropanoylamino)propyl benzoate Traditional Name: benzoic acid 3-(alanylamino)propyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCOC(=O)C1=CC=CC=C1)N

Isomeric SMILES

CC(C(=O)NCCCOC(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C13H18N2O3/c1-10(14)12(16)15-8-5-9-18-13(17)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,14H2,1H3,(H,15,16)