ethyl 4-[3-(4-aminocarbonyl-5-azanyl-imidazol-1-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-aminocarbonyl-5-azanyl-imidazol-1-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(5-amino-4-carbamoyl-imidazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[3-(5-amino-4-carbamoyl-1-imidazolyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-amino-4-carbamoylimidazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(5-amino-4-carbamoyl-imidazol-1-yl)propanoylamino]benzoic acid ethyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC(=C2N)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC(=C2N)C(=O)N

InChI

InChI=1S/C16H19N5O4/c1-2-25-16(24)10-3-5-11(6-4-10)20-12(22)7-8-21-9-19-13(14(21)17)15(18)23/h3-6,9H,2,7-8,17H2,1H3,(H2,18,23)(H,20,22)