[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C24H20FN3O3 MolecularWeight: 417.432303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4)F

InChI

InChI=1S/C24H20FN3O3/c1-15-8-10-18(13-20(15)25)27-23(29)14-31-24(30)17-9-11-22-21(12-17)26-16(2)28(22)19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,27,29)