methyl 3-(2-imidazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-(2-imidazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[(2-imidazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[2-(1-imidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-imidazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[(2-imidazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C=CN=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C=CN=C2

InChI

InChI=1S/C13H13N3O3/c1-19-13(18)10-3-2-4-11(7-10)15-12(17)8-16-6-5-14-9-16/h2-7,9H,8H2,1H3,(H,15,17)