(4-pyridin-4-ylpiperazin-1-yl) 2-(2,6-ditert-butylphenoxy)-3-oxidanylidene-butanoate

Systemtic Name: (4-pyridin-4-ylpiperazin-1-yl) 2-(2,6-ditert-butylphenoxy)-3-oxidanylidene-butanoate Openeye Name: [4-(4-pyridyl)piperazin-1-yl] 2-(2,6-ditert-butylphenoxy)-3-oxo-butanoate CAS Name: 2-(2,6-ditert-butylphenoxy)-3-oxobutanoic acid (4-pyridin-4-yl-1-piperazinyl) ester IUPAC Name: (4-pyridin-4-ylpiperazin-1-yl) 2-(2,6-ditert-butylphenoxy)-3-oxobutanoate Traditional Name: 2-(2,6-ditert-butylphenoxy)-3-keto-butyric acid [4-(4-pyridyl)piperazino] ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)ON1CCN(CC1)C2=CC=NC=C2)OC3=C(C=CC=C3C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(=O)C(C(=O)ON1CCN(CC1)C2=CC=NC=C2)OC3=C(C=CC=C3C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C27H37N3O4/c1-19(31)23(33-24-21(26(2,3)4)9-8-10-22(24)27(5,6)7)25(32)34-30-17-15-29(16-18-30)20-11-13-28-14-12-20/h8-14,23H,15-18H2,1-7H3