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

Systemtic Name: 3-[[1-(4-phenylbutyl)-2-(3-thiophen-2-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-phenylbutyl)-2-[3-(2-thienyl)propyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-(3-thiophen-2-ylpropyl)-5-benzimidazolyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-phenylbutyl)-2-(3-thiophen-2-ylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-phenylbutyl)-2-[3-(2-thienyl)propyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2CCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2CCCC4=CC=CS4

InChI

InChI=1S/C28H31N3O3S/c32-27(33)16-17-29-28(34)22-14-15-25-24(20-22)30-26(13-6-11-23-12-7-19-35-23)31(25)18-5-4-10-21-8-2-1-3-9-21/h1-3,7-9,12,14-15,19-20H,4-6,10-11,13,16-18H2,(H,29,34)(H,32,33)