methyl 2-butyl-3-[4-(2-methanoylphenyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[4-(2-methanoylphenyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[4-(2-formylphenyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[4-(2-formylphenyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-(2-formylphenyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-formylphenyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)C4=CC=CC=C4C=O)C(=O)OC)C

Isomeric SMILES

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)C4=CC=CC=C4C=O)C(=O)OC)C

InChI

InChI=1S/C27H28N2O3/c1-4-5-13-25-28(2)24-12-8-11-23(27(31)32-3)26(24)29(25)21-16-14-19(15-17-21)22-10-7-6-9-20(22)18-30/h6-12,14-18,25H,4-5,13H2,1-3H3