methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[3-(1-imidazolyl)propylamino]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-(3-imidazol-1-ylpropylamino)-2-keto-acetyl]amino]benzoic acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C16H18N4O4/c1-24-16(23)12-3-5-13(6-4-12)19-15(22)14(21)18-7-2-9-20-10-8-17-11-20/h3-6,8,10-11H,2,7,9H2,1H3,(H,18,21)(H,19,22)