[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-7-methyl-benzimidazol-4-yl] ethanoate

Systemtic Name: [2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-7-methyl-benzimidazol-4-yl] ethanoate Openeye Name: [2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-7-methyl-benzimidazol-4-yl] acetate CAS Name: acetic acid [2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-7-methyl-4-benzimidazolyl] ester IUPAC Name: [2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-7-methylbenzimidazol-4-yl] acetate Traditional Name: acetic acid [2-butyl-3-(2-carboxyoxy-3-phenyl-benzyl)-7-methyl-benzimidazol-4-yl] ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)OC(=O)C)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)OC(=O)C)C

InChI

InChI=1S/C28H28N2O5/c1-4-5-14-24-29-25-18(2)15-16-23(34-19(3)31)26(25)30(24)17-21-12-9-13-22(27(21)35-28(32)33)20-10-7-6-8-11-20/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,32,33)