2-[2,6-ditert-butyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-ditert-butyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoic acid Openeye Name: 2-[2,6-ditert-butyl-4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetic acid CAS Name: 2-[2,6-ditert-butyl-4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-ditert-butyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid Traditional Name: 2-[2,6-ditert-butyl-4-[2-[4-(4-pyridyl)piperazino]acetyl]phenoxy]acetic acid Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCC(=O)O)C(C)(C)C)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCC(=O)O)C(C)(C)C)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C27H37N3O4/c1-26(2,3)21-15-19(16-22(27(4,5)6)25(21)34-18-24(32)33)23(31)17-29-11-13-30(14-12-29)20-7-9-28-10-8-20/h7-10,15-16H,11-14,17-18H2,1-6H3,(H,32,33)