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

Systemtic Name: 3-[[2-(naphthalen-2-ylmethyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(2-naphthylmethyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(2-naphthalenylmethyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(naphthalen-2-ylmethyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(2-naphthylmethyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C32H31N3O3 MolecularWeight: 505.60684

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H31N3O3/c36-31(37)17-18-33-32(38)27-15-16-29-28(22-27)34-30(21-24-13-14-25-11-4-5-12-26(25)20-24)35(29)19-7-6-10-23-8-2-1-3-9-23/h1-5,8-9,11-16,20,22H,6-7,10,17-19,21H2,(H,33,38)(H,36,37)