2-[4-[3-[1H-benzimidazol-2-yl(phenethyl)amino]propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-[1H-benzimidazol-2-yl(phenethyl)amino]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-[1H-benzimidazol-2-yl(phenethyl)amino]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[1H-benzimidazol-2-yl(phenethyl)amino]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-[1H-benzimidazol-2-yl(phenethyl)amino]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[1H-benzimidazol-2-yl(phenethyl)amino]propyl]phenoxy]-2-methyl-propionic acid Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCN(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCN(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C28H31N3O3/c1-28(2,26(32)33)34-23-16-14-22(15-17-23)11-8-19-31(20-18-21-9-4-3-5-10-21)27-29-24-12-6-7-13-25(24)30-27/h3-7,9-10,12-17H,8,11,18-20H2,1-2H3,(H,29,30)(H,32,33)