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

Systemtic Name: 3-[[1-(4-phenylbutyl)-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-phenylbutyl)-2-(3-thienylmethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-(3-thiophenylmethyl)-5-benzimidazolyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-phenylbutyl)-2-(thiophen-3-ylmethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-phenylbutyl)-2-(3-thenyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C26H27N3O3S MolecularWeight: 461.57588

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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=C2CC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2CC4=CSC=C4

InChI

InChI=1S/C26H27N3O3S/c30-25(31)11-13-27-26(32)21-9-10-23-22(17-21)28-24(16-20-12-15-33-18-20)29(23)14-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-10,12,15,17-18H,4-5,8,11,13-14,16H2,(H,27,32)(H,30,31)