3-[[1-(4-phenylbutyl)-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-(4-phenylbutyl)-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-phenylbutyl)-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-[2-(4-piperidinyl)ethyl]-4-benzimidazolyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-phenylbutyl)-2-(2-piperidin-4-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-phenylbutyl)-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propionic acid Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC2=NC3=C(C=CC=C3N2CCCCC4=CC=CC=C4)C(=O)NCCC(=O)O

Isomeric SMILES

C1CNCCC1CCC2=NC3=C(C=CC=C3N2CCCCC4=CC=CC=C4)C(=O)NCCC(=O)O

InChI

InChI=1S/C28H36N4O3/c33-26(34)16-19-30-28(35)23-10-6-11-24-27(23)31-25(13-12-22-14-17-29-18-15-22)32(24)20-5-4-9-21-7-2-1-3-8-21/h1-3,6-8,10-11,22,29H,4-5,9,12-20H2,(H,30,35)(H,33,34)