ethyl 3-[[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: ethyl 3-[[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: ethyl 3-[[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazole-4-carbonyl]amino]methyl]benzoate CAS Name: 3-[[[[2-[(4-cyanophenyl)methyl]-1-methyl-4-benzimidazolyl]-oxomethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 3-[[[2-(4-cyanobenzyl)-1-methyl-benzimidazole-4-carbonyl]amino]methyl]benzoic acid ethyl ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CNC(=O)C2=C3C(=CC=C2)N(C(=N3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CNC(=O)C2=C3C(=CC=C2)N(C(=N3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H24N4O3/c1-3-34-27(33)21-7-4-6-20(14-21)17-29-26(32)22-8-5-9-23-25(22)30-24(31(23)2)15-18-10-12-19(16-28)13-11-18/h4-14H,3,15,17H2,1-2H3,(H,29,32)