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

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H17ClFN3O3 MolecularWeight: 437.850783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O3/c1-14-26-20-11-15(7-10-21(20)28(14)17-5-3-2-4-6-17)23(30)31-13-22(29)27-19-9-8-16(25)12-18(19)24/h2-12H,13H2,1H3,(H,27,29)