[4-chloranyl-3-(2-methylpropanoyl)quinolin-8-yl]methyl benzoate

Systemtic Name: [4-chloranyl-3-(2-methylpropanoyl)quinolin-8-yl]methyl benzoate Openeye Name: [4-chloro-3-(2-methylpropanoyl)-8-quinolyl]methyl benzoate CAS Name: benzoic acid [4-chloro-3-(2-methyl-1-oxopropyl)-8-quinolinyl]methyl ester IUPAC Name: [4-chloro-3-(2-methylpropanoyl)quinolin-8-yl]methyl benzoate Traditional Name: benzoic acid (4-chloro-3-isobutyryl-8-quinolyl)methyl ester Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CN=C2C(=C1Cl)C=CC=C2COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)C1=CN=C2C(=C1Cl)C=CC=C2COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClNO3/c1-13(2)20(24)17-11-23-19-15(9-6-10-16(19)18(17)22)12-26-21(25)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3