methyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-propyl-benzimidazole-4-carboxylate

Systemtic Name: methyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-propyl-benzimidazole-4-carboxylate Openeye Name: methyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-propyl-benzimidazole-4-carboxylate CAS Name: 3-[(3-cyano-4-phenylphenyl)methyl]-2-propyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-cyano-4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carboxylate Traditional Name: 3-(3-cyano-4-phenyl-benzyl)-2-propyl-benzimidazole-4-carboxylic acid methyl ester Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C(=O)OC

Isomeric SMILES

CCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C(=O)OC

InChI

InChI=1S/C26H23N3O2/c1-3-8-24-28-23-12-7-11-22(26(30)31-2)25(23)29(24)17-18-13-14-21(20(15-18)16-27)19-9-5-4-6-10-19/h4-7,9-15H,3,8,17H2,1-2H3