5-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[6-(4-tert-butylphenoxy)-3-pyridyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[6-(4-tert-butylphenoxy)-3-pyridyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C22H28N2O4/c1-21(2,3)15-6-9-17(10-7-15)28-19-11-8-16(14-23-19)24-18(25)12-22(4,5)13-20(26)27/h6-11,14H,12-13H2,1-5H3,(H,24,25)(H,26,27)