3-[4-[2-oxidanylidene-3-(2-piperidin-4-ylethyl)-1H-benzimidazol-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-3-(2-piperidin-4-ylethyl)-1H-benzimidazol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-oxo-3-[2-(4-piperidyl)ethyl]-1H-benzimidazol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-oxo-3-[2-(4-piperidinyl)ethyl]-1H-benzimidazol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)-1H-benzimidazol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-[2-(4-piperidyl)ethyl]-1H-benzimidazol-4-yl]phenyl]propionic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2C3=C(C=CC=C3NC2=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1CNCCC1CCN2C3=C(C=CC=C3NC2=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C23H27N3O3/c27-21(28)9-6-16-4-7-18(8-5-16)19-2-1-3-20-22(19)26(23(29)25-20)15-12-17-10-13-24-14-11-17/h1-5,7-8,17,24H,6,9-15H2,(H,25,29)(H,27,28)