ethyl 2-chloranyl-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate

Systemtic Name: ethyl 2-chloranyl-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate Openeye Name: ethyl 2-chloro-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate CAS Name: 2-chloro-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate Traditional Name: 2-chloro-7-[4-(2-cyanophenyl)benzyl]-3H-benzimidazole-4-carboxylic acid ethyl ester Formula: C24H18ClN3O2 MolecularWeight: 415.87162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(C=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=C(N2)Cl

Isomeric SMILES

CCOC(=O)C1=C2C(=C(C=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=C(N2)Cl

InChI

InChI=1S/C24H18ClN3O2/c1-2-30-23(29)20-12-11-17(21-22(20)28-24(25)27-21)13-15-7-9-16(10-8-15)19-6-4-3-5-18(19)14-26/h3-12H,2,13H2,1H3,(H,27,28)