methyl 4-[(5-aminocarbonyl-4-azanyl-imidazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5-aminocarbonyl-4-azanyl-imidazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-amino-5-carbamoyl-imidazol-1-yl)methyl]benzoate CAS Name: 4-[(4-amino-5-carbamoyl-1-imidazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-5-carbamoylimidazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-amino-5-carbamoyl-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC(=C2C(=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC(=C2C(=O)N)N

InChI

InChI=1S/C13H14N4O3/c1-20-13(19)9-4-2-8(3-5-9)6-17-7-16-11(14)10(17)12(15)18/h2-5,7H,6,14H2,1H3,(H2,15,18)