methyl 4-[[4-methyl-2-(phenylcarbonyl)phenyl]carbamoyl]-1H-imidazol-3-ium-5-carboxylate

Systemtic Name: methyl 4-[[4-methyl-2-(phenylcarbonyl)phenyl]carbamoyl]-1H-imidazol-3-ium-5-carboxylate Openeye Name: methyl 4-[(2-benzoyl-4-methyl-phenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate CAS Name: 4-[(2-benzoyl-4-methylanilino)-oxomethyl]-1H-imidazol-3-ium-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate Traditional Name: 4-[(2-benzoyl-4-methyl-phenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylic acid methyl ester Formula: C20H18N3O4+ MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(NC=[NH+]2)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(NC=[NH+]2)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4/c1-12-8-9-15(14(10-12)18(24)13-6-4-3-5-7-13)23-19(25)16-17(20(26)27-2)22-11-21-16/h3-11H,1-2H3,(H,21,22)(H,23,25)/p+1