2-[3-[1-(cyclooctylmethyl)piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1-(cyclooctylmethyl)piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[1-(cyclooctylmethyl)-4-piperidyl]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[1-(cyclooctylmethyl)-4-piperidinyl]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[1-(cyclooctylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-[1-(cyclooctylmethyl)-4-piperidyl]-2-keto-benzimidazol-1-yl]acetic acid Formula: C23H33N3O3 MolecularWeight: 399.52642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

C1CCCC(CCC1)CN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C23H33N3O3/c27-22(28)17-25-20-10-6-7-11-21(20)26(23(25)29)19-12-14-24(15-13-19)16-18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-17H2,(H,27,28)