methyl 2-butyl-3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 3-[[2-(2-tert-butoxycarbonylphenyl)phenyl]methyl]-2-butyl-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 3-[2-(2-tert-butoxycarbonylphenyl)benzyl]-2-butyl-benzimidazole-4-carboxylic acid methyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=CC=C3C4=CC=CC=C4C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=CC=C3C4=CC=CC=C4C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C31H34N2O4/c1-6-7-19-27-32-26-18-12-17-25(29(34)36-5)28(26)33(27)20-21-13-8-9-14-22(21)23-15-10-11-16-24(23)30(35)37-31(2,3)4/h8-18H,6-7,19-20H2,1-5H3