2-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]butanoic acid

Systemtic Name: 2-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]butanoic acid Openeye Name: 2-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]butanoic acid CAS Name: 2-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenoxy)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid Traditional Name: 2-[[4-(1H-benzimidazol-2-ylmethoxy)benzyl]-(4-methoxyphenoxy)carbonyl-amino]butyric acid Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2)C(=O)OC4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C(=O)O)N(CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2)C(=O)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27N3O6/c1-3-24(26(31)32)30(27(33)36-21-14-12-19(34-2)13-15-21)16-18-8-10-20(11-9-18)35-17-25-28-22-6-4-5-7-23(22)29-25/h4-15,24H,3,16-17H2,1-2H3,(H,28,29)(H,31,32)