2-[2-[1-(4-cyanobutyl)piperidin-4-yl]carbonylbenzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[1-(4-cyanobutyl)piperidin-4-yl]carbonylbenzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[1-(4-cyanobutyl)piperidine-4-carbonyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-(4-cyanobutyl)-4-piperidinyl]-oxomethyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[1-(4-cyanobutyl)piperidine-4-carbonyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[1-(4-cyanobutyl)isonipecotoyl]benzimidazol-1-yl]acetic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=NC3=CC=CC=C3N2CC(=O)O)CCCCC#N

Isomeric SMILES

C1CN(CCC1C(=O)C2=NC3=CC=CC=C3N2CC(=O)O)CCCCC#N

InChI

InChI=1S/C20H24N4O3/c21-10-4-1-5-11-23-12-8-15(9-13-23)19(27)20-22-16-6-2-3-7-17(16)24(20)14-18(25)26/h2-3,6-7,15H,1,4-5,8-9,11-14H2,(H,25,26)