methyl 7-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: methyl 7-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: methyl 7-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 7-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1H-quinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 7-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-keto-1H-quinoline-2-carboxylic acid methyl ester Formula: C22H21NO8 MolecularWeight: 427.40404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C=C(N3)C(=O)OC)O)O

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C=C(N3)C(=O)OC)O)O

InChI

InChI=1S/C22H21NO8/c1-12(24)21-18(26)4-3-5-20(21)31-11-13(25)10-30-14-6-7-15-16(8-14)23-17(9-19(15)27)22(28)29-2/h3-9,13,25-26H,10-11H2,1-2H3,(H,23,27)