3-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-2-propyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-2-propyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[[4-(2-tert-butoxycarbonylphenyl)phenyl]methyl]-2-propyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]methyl]-2-propyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-2-propylbenzimidazole-5-carboxylic acid Traditional Name: 3-[4-(2-tert-butoxycarbonylphenyl)benzyl]-2-propyl-benzimidazole-5-carboxylic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)C(=O)O

InChI

InChI=1S/C29H30N2O4/c1-5-8-26-30-24-16-15-21(27(32)33)17-25(24)31(26)18-19-11-13-20(14-12-19)22-9-6-7-10-23(22)28(34)35-29(2,3)4/h6-7,9-17H,5,8,18H2,1-4H3,(H,32,33)