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

Systemtic Name: methyl 2-[2,6-ditert-butyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[2,6-ditert-butyl-4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]acetate CAS Name: 2-[2,6-ditert-butyl-4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2,6-ditert-butyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[2,6-ditert-butyl-4-[2-[4-(4-pyridyl)piperazino]acetyl]phenoxy]acetic acid methyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O4/c1-27(2,3)22-16-20(17-23(28(4,5)6)26(22)35-19-25(33)34-7)24(32)18-30-12-14-31(15-13-30)21-8-10-29-11-9-21/h8-11,16-17H,12-15,18-19H2,1-7H3