ethyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-propan-2-yl-benzimidazole-4-carboxylate

Systemtic Name: ethyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-propan-2-yl-benzimidazole-4-carboxylate Openeye Name: ethyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-isopropyl-benzimidazole-4-carboxylate CAS Name: 3-[(3-cyano-4-phenylphenyl)methyl]-2-propan-2-yl-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyano-4-phenylphenyl)methyl]-2-propan-2-ylbenzimidazole-4-carboxylate Traditional Name: 3-(3-cyano-4-phenyl-benzyl)-2-isopropyl-benzimidazole-4-carboxylic acid ethyl ester Formula: C27H25N3O2 MolecularWeight: 423.5063

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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=C4)C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2/c1-4-32-27(31)23-11-8-12-24-25(23)30(26(29-24)18(2)3)17-19-13-14-22(21(15-19)16-28)20-9-6-5-7-10-20/h5-15,18H,4,17H2,1-3H3