[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl 4-[(4-oxidanylidene-1H-quinolin-2-yl)carbonylamino]butanoate

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl 4-[(4-oxidanylidene-1H-quinolin-2-yl)carbonylamino]butanoate Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl 4-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoate CAS Name: 4-[[oxo-(4-oxo-1H-quinolin-2-yl)methyl]amino]butanoic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl 4-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoate Traditional Name: 4-[(4-keto-1H-quinoline-2-carbonyl)amino]butyric acid (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)COC(=O)CCCNC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)COC(=O)CCCNC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H23N3O6/c1-13-21(29)16(11-26)14(10-24-13)12-31-20(28)7-4-8-23-22(30)18-9-19(27)15-5-2-3-6-17(15)25-18/h2-3,5-6,9-10,26,29H,4,7-8,11-12H2,1H3,(H,23,30)(H,25,27)