(3-butanoyl-4-chloranyl-quinolin-8-yl)methyl 4-methoxybenzoate

Systemtic Name: (3-butanoyl-4-chloranyl-quinolin-8-yl)methyl 4-methoxybenzoate Openeye Name: (3-butanoyl-4-chloro-8-quinolyl)methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-chloro-3-(1-oxobutyl)-8-quinolinyl]methyl ester IUPAC Name: (3-butanoyl-4-chloroquinolin-8-yl)methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (3-butyryl-4-chloro-8-quinolyl)methyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO4/c1-3-5-19(25)18-12-24-21-15(6-4-7-17(21)20(18)23)13-28-22(26)14-8-10-16(27-2)11-9-14/h4,6-12H,3,5,13H2,1-2H3