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

Systemtic Name: 3-[[1-(4-phenylbutyl)-2-(1-phenylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-phenylbutyl)-2-(1-phenylethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-(1-phenylethyl)-5-benzimidazolyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-phenylbutyl)-2-(1-phenylethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-phenylbutyl)-2-(1-phenylethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3/c1-21(23-13-6-3-7-14-23)28-31-25-20-24(29(35)30-18-17-27(33)34)15-16-26(25)32(28)19-9-8-12-22-10-4-2-5-11-22/h2-7,10-11,13-16,20-21H,8-9,12,17-19H2,1H3,(H,30,35)(H,33,34)