ethyl 2-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-(phenylcarbonyl)amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-(phenylcarbonyl)amino]ethanoate Openeye Name: ethyl 2-[benzoyl-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]amino]acetate CAS Name: 2-[benzoyl-[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzoyl-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]amino]acetate Traditional Name: 2-[benzoyl-[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]amino]acetic acid ethyl ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C)C(=O)C4=CC=CC=C4

InChI

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