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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=C(C=CC=C3C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=C(C=CC=C3C(C)(C)C)C(C)(C)C

InChI

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