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

Systemtic Name: (3-butanoyl-4-oxidanylidene-1H-quinolin-8-yl)methyl 4-methoxybenzoate Openeye Name: (3-butanoyl-4-oxo-1H-quinolin-8-yl)methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-oxo-3-(1-oxobutyl)-1H-quinolin-8-yl]methyl ester IUPAC Name: (3-butanoyl-4-oxo-1H-quinolin-8-yl)methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (3-butyryl-4-keto-1H-quinolin-8-yl)methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CNC2=C(C1=O)C=CC=C2COC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC(=O)C1=CNC2=C(C1=O)C=CC=C2COC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO5/c1-3-5-19(24)18-12-23-20-15(6-4-7-17(20)21(18)25)13-28-22(26)14-8-10-16(27-2)11-9-14/h4,6-12H,3,5,13H2,1-2H3,(H,23,25)