2-[3-[1-[2-(1H-benzimidazol-2-yl)ethanoyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[1-[2-(1H-benzimidazol-2-yl)ethanoyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[1-[2-(1H-benzimidazol-2-yl)acetyl]-3-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[1-[2-(1H-benzimidazol-2-yl)-1-oxoethyl]-3-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[1-[2-(1H-benzimidazol-2-yl)acetyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[1-[2-(1H-benzimidazol-2-yl)acetyl]-3-piperidyl]phenoxy]-2-methyl-propionic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)C2CCCN(C2)C(=O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)C2CCCN(C2)C(=O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H27N3O4/c1-24(2,23(29)30)31-18-9-5-7-16(13-18)17-8-6-12-27(15-17)22(28)14-21-25-19-10-3-4-11-20(19)26-21/h3-5,7,9-11,13,17H,6,8,12,14-15H2,1-2H3,(H,25,26)(H,29,30)