(3-butanoyl-4-chloranyl-2-oxidanylidene-1H-quinolin-6-yl)methyl benzoate

Systemtic Name: (3-butanoyl-4-chloranyl-2-oxidanylidene-1H-quinolin-6-yl)methyl benzoate Openeye Name: (3-butanoyl-4-chloro-2-oxo-1H-quinolin-6-yl)methyl benzoate CAS Name: benzoic acid [4-chloro-2-oxo-3-(1-oxobutyl)-1H-quinolin-6-yl]methyl ester IUPAC Name: (3-butanoyl-4-chloro-2-oxo-1H-quinolin-6-yl)methyl benzoate Traditional Name: benzoic acid (3-butyryl-4-chloro-2-keto-1H-quinolin-6-yl)methyl ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO4/c1-2-6-17(24)18-19(22)15-11-13(9-10-16(15)23-20(18)25)12-27-21(26)14-7-4-3-5-8-14/h3-5,7-11H,2,6,12H2,1H3,(H,23,25)