2,2-bis(2-methylphenoxy)-2-(1-pyridin-4-ylcarbonylpiperidin-4-yl)ethanoic acid

Systemtic Name: 2,2-bis(2-methylphenoxy)-2-(1-pyridin-4-ylcarbonylpiperidin-4-yl)ethanoic acid Openeye Name: 2,2-bis(2-methylphenoxy)-2-[1-(pyridine-4-carbonyl)-4-piperidyl]acetic acid CAS Name: 2,2-bis(2-methylphenoxy)-2-[1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]acetic acid IUPAC Name: 2,2-bis(2-methylphenoxy)-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid Traditional Name: 2-(1-isonicotinoyl-4-piperidyl)-2,2-bis(2-methylphenoxy)acetic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C2CCN(CC2)C(=O)C3=CC=NC=C3)(C(=O)O)OC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1OC(C2CCN(CC2)C(=O)C3=CC=NC=C3)(C(=O)O)OC4=CC=CC=C4C

InChI

InChI=1S/C27H28N2O5/c1-19-7-3-5-9-23(19)33-27(26(31)32,34-24-10-6-4-8-20(24)2)22-13-17-29(18-14-22)25(30)21-11-15-28-16-12-21/h3-12,15-16,22H,13-14,17-18H2,1-2H3,(H,31,32)