2-[2-[1-(1,2-dimethoxy-1-oxidanylidene-propan-2-yl)piperidin-4-yl]carbonylbenzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[1-(1,2-dimethoxy-1-oxidanylidene-propan-2-yl)piperidin-4-yl]carbonylbenzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[1-(1,2-dimethoxy-1-methyl-2-oxo-ethyl)piperidine-4-carbonyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-(1,2-dimethoxy-1-oxopropan-2-yl)-4-piperidinyl]-oxomethyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[1-(1,2-dimethoxy-1-oxopropan-2-yl)piperidine-4-carbonyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[1-(2-keto-1,2-dimethoxy-1-methyl-ethyl)isonipecotoyl]benzimidazol-1-yl]acetic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)(N1CCC(CC1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)O)OC

Isomeric SMILES

CC(C(=O)OC)(N1CCC(CC1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)O)OC

InChI

InChI=1S/C20H25N3O6/c1-20(29-3,19(27)28-2)22-10-8-13(9-11-22)17(26)18-21-14-6-4-5-7-15(14)23(18)12-16(24)25/h4-7,13H,8-12H2,1-3H3,(H,24,25)