2,2-bis(2-methylphenoxy)-2-(4-oxidanyl-1-pyridin-4-ylcarbonyl-piperidin-4-yl)ethanoic acid

Systemtic Name: 2,2-bis(2-methylphenoxy)-2-(4-oxidanyl-1-pyridin-4-ylcarbonyl-piperidin-4-yl)ethanoic acid Openeye Name: 2-[4-hydroxy-1-(pyridine-4-carbonyl)-4-piperidyl]-2,2-bis(2-methylphenoxy)acetic acid CAS Name: 2-[4-hydroxy-1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]-2,2-bis(2-methylphenoxy)acetic acid IUPAC Name: 2-[4-hydroxy-1-(pyridine-4-carbonyl)piperidin-4-yl]-2,2-bis(2-methylphenoxy)acetic acid Traditional Name: 2-(4-hydroxy-1-isonicotinoyl-4-piperidyl)-2,2-bis(2-methylphenoxy)acetic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C(=O)O)(C2(CCN(CC2)C(=O)C3=CC=NC=C3)O)OC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1OC(C(=O)O)(C2(CCN(CC2)C(=O)C3=CC=NC=C3)O)OC4=CC=CC=C4C

InChI

InChI=1S/C27H28N2O6/c1-19-7-3-5-9-22(19)34-27(25(31)32,35-23-10-6-4-8-20(23)2)26(33)13-17-29(18-14-26)24(30)21-11-15-28-16-12-21/h3-12,15-16,33H,13-14,17-18H2,1-2H3,(H,31,32)