4-[2-oxidanylidene-2-[[(2-piperidin-1-ylphenyl)-pyridin-2-yl-methyl]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-[[(2-piperidin-1-ylphenyl)-pyridin-2-yl-methyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-oxo-2-[[[2-(1-piperidyl)phenyl]-(2-pyridyl)methyl]amino]ethyl]benzoic acid CAS Name: 4-[2-oxo-2-[[[2-(1-piperidinyl)phenyl]-(2-pyridinyl)methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-oxo-2-[[(2-piperidin-1-ylphenyl)-pyridin-2-ylmethyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[(2-piperidinophenyl)-(2-pyridyl)methyl]amino]ethyl]benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=CC=N3)NC(=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=CC=N3)NC(=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H27N3O3/c30-24(18-19-11-13-20(14-12-19)26(31)32)28-25(22-9-4-5-15-27-22)21-8-2-3-10-23(21)29-16-6-1-7-17-29/h2-5,8-15,25H,1,6-7,16-18H2,(H,28,30)(H,31,32)