4-[[2-methyl-5-(2-methylpropyl)-4-oxidanylidene-6-pyridin-3-yl-pyran-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-methyl-5-(2-methylpropyl)-4-oxidanylidene-6-pyridin-3-yl-pyran-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[5-isobutyl-2-methyl-4-oxo-6-(3-pyridyl)pyran-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-methyl-5-(2-methylpropyl)-4-oxo-6-(3-pyridinyl)-3-pyranyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-methyl-5-(2-methylpropyl)-4-oxo-6-pyridin-3-ylpyran-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[5-isobutyl-4-keto-2-methyl-6-(3-pyridyl)pyran-3-carbonyl]amino]benzoic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(O1)C2=CN=CC=C2)CC(C)C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(O1)C2=CN=CC=C2)CC(C)C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H22N2O5/c1-13(2)11-18-20(26)19(14(3)30-21(18)16-5-4-10-24-12-16)22(27)25-17-8-6-15(7-9-17)23(28)29/h4-10,12-13H,11H2,1-3H3,(H,25,27)(H,28,29)