(3-butanoyl-4-chloranyl-2-oxidanylidene-1H-quinolin-8-yl)methyl 4-methoxybenzoate

Systemtic Name: (3-butanoyl-4-chloranyl-2-oxidanylidene-1H-quinolin-8-yl)methyl 4-methoxybenzoate Openeye Name: (3-butanoyl-4-chloro-2-oxo-1H-quinolin-8-yl)methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-chloro-2-oxo-3-(1-oxobutyl)-1H-quinolin-8-yl]methyl ester IUPAC Name: (3-butanoyl-4-chloro-2-oxo-1H-quinolin-8-yl)methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (3-butyryl-4-chloro-2-keto-1H-quinolin-8-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(C(=CC=C2)COC(=O)C3=CC=C(C=C3)OC)NC1=O)Cl

Isomeric SMILES

CCCC(=O)C1=C(C2=C(C(=CC=C2)COC(=O)C3=CC=C(C=C3)OC)NC1=O)Cl

InChI

InChI=1S/C22H20ClNO5/c1-3-5-17(25)18-19(23)16-7-4-6-14(20(16)24-21(18)26)12-29-22(27)13-8-10-15(28-2)11-9-13/h4,6-11H,3,5,12H2,1-2H3,(H,24,26)