3-[[2-(3,5-dimethoxyphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(3,5-dimethoxyphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(3,5-dimethoxyphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(3,5-dimethoxyphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3,5-dimethoxyphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(3,5-dimethoxyphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)O)OC

InChI

InChI=1S/C29H31N3O5/c1-36-23-16-22(17-24(19-23)37-2)28-31-25-18-21(29(35)30-14-13-27(33)34)11-12-26(25)32(28)15-7-6-10-20-8-4-3-5-9-20/h3-5,8-9,11-12,16-19H,6-7,10,13-15H2,1-2H3,(H,30,35)(H,33,34)