2-[(3-cyano-4-phenyl-phenyl)methyl]-2-pentan-2-yl-benzimidazole-5-carboxylate

Systemtic Name: 2-[(3-cyano-4-phenyl-phenyl)methyl]-2-pentan-2-yl-benzimidazole-5-carboxylate Openeye Name: 2-[(3-cyano-4-phenyl-phenyl)methyl]-2-(1-methylbutyl)benzimidazole-5-carboxylate CAS Name: 2-[(3-cyano-4-phenylphenyl)methyl]-2-pentan-2-yl-5-benzimidazolecarboxylate IUPAC Name: 2-[(3-cyano-4-phenylphenyl)methyl]-2-pentan-2-ylbenzimidazole-5-carboxylate Traditional Name: 2-(3-cyano-4-phenyl-benzyl)-2-(1-methylbutyl)benzimidazole-5-carboxylate Formula: C27H24N3O2- MolecularWeight: 422.49836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(N=C2C=CC(=CC2=N1)C(=O)[O-])CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCC(C)C1(N=C2C=CC(=CC2=N1)C(=O)[O-])CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H25N3O2/c1-3-7-18(2)27(29-24-13-11-21(26(31)32)15-25(24)30-27)16-19-10-12-23(22(14-19)17-28)20-8-5-4-6-9-20/h4-6,8-15,18H,3,7,16H2,1-2H3,(H,31,32)/p-1