methyl 2-butyl-7-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-7-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylate Openeye Name: methyl 7-[[4-(2-tert-butoxycarbonylphenyl)phenyl]methyl]-2-butyl-3H-benzimidazole-4-carboxylate CAS Name: 2-butyl-7-[[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-7-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylate Traditional Name: 7-[4-(2-tert-butoxycarbonylphenyl)benzyl]-2-butyl-3H-benzimidazole-4-carboxylic acid methyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C

InChI

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