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

Systemtic Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-phenyl-phenyl]methyl]-2-propyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-tert-butoxycarbonyloxy-3-phenyl-phenyl)methyl]-2-propyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[2-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3-phenylphenyl]methyl]-2-propyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-phenylphenyl]methyl]-2-propylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-tert-butoxycarbonyloxy-3-phenyl-benzyl)-2-propyl-benzimidazole-5-carboxylic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)C(=O)O

InChI

InChI=1S/C29H30N2O5/c1-5-10-25-30-23-16-15-20(27(32)33)17-24(23)31(25)18-21-13-9-14-22(19-11-7-6-8-12-19)26(21)35-28(34)36-29(2,3)4/h6-9,11-17H,5,10,18H2,1-4H3,(H,32,33)