ethyl 2-(acetyloxymethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: ethyl 2-(acetyloxymethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: ethyl 2-(acetoxymethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-(acetyloxymethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetyloxymethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-(acetoxymethyl)-3-[4-(2-cyanophenyl)benzyl]benzimidazole-4-carboxylic acid ethyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)COC(=O)C

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)COC(=O)C

InChI

InChI=1S/C27H23N3O4/c1-3-33-27(32)23-9-6-10-24-26(23)30(25(29-24)17-34-18(2)31)16-19-11-13-20(14-12-19)22-8-5-4-7-21(22)15-28/h4-14H,3,16-17H2,1-2H3