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

Systemtic Name: methyl 4-acetamido-3-(4-azanylbutanoylamino)benzoate Openeye Name: methyl 4-acetamido-3-(4-aminobutanoylamino)benzoate CAS Name: 4-acetamido-3-[(4-amino-1-oxobutyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(4-aminobutanoylamino)benzoate Traditional Name: 4-acetamido-3-(4-aminobutanoylamino)benzoic acid methyl ester Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCN

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCN

InChI

InChI=1S/C14H19N3O4/c1-9(18)16-11-6-5-10(14(20)21-2)8-12(11)17-13(19)4-3-7-15/h5-6,8H,3-4,7,15H2,1-2H3,(H,16,18)(H,17,19)