O1-ethyl O3-(2-methylpropyl) 8-(acetyloxymethyl)-6-methyl-4-oxidanylidene-quinoline-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-(2-methylpropyl) 8-(acetyloxymethyl)-6-methyl-4-oxidanylidene-quinoline-1,3-dicarboxylate Openeye Name: O1-ethyl O3-isobutyl 8-(acetoxymethyl)-6-methyl-4-oxo-quinoline-1,3-dicarboxylate CAS Name: 8-(acetyloxymethyl)-6-methyl-4-oxoquinoline-1,3-dicarboxylic acid O1-ethyl ester O3-(2-methylpropyl) ester IUPAC Name: 1-O-ethyl 3-O-(2-methylpropyl) 8-(acetyloxymethyl)-6-methyl-4-oxoquinoline-1,3-dicarboxylate Traditional Name: 8-(acetoxymethyl)-4-keto-6-methyl-quinoline-1,3-dicarboxylic acid O1-ethyl ester O3-isobutyl ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C(=O)C2=CC(=CC(=C21)COC(=O)C)C)C(=O)OCC(C)C

Isomeric SMILES

CCOC(=O)N1C=C(C(=O)C2=CC(=CC(=C21)COC(=O)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C21H25NO7/c1-6-27-21(26)22-9-17(20(25)29-10-12(2)3)19(24)16-8-13(4)7-15(18(16)22)11-28-14(5)23/h7-9,12H,6,10-11H2,1-5H3