2-(4-butan-2-ylphenyl)-6-methyl-quinoline-4-carbonyl chloride

Systemtic Name: 2-(4-butan-2-ylphenyl)-6-methyl-quinoline-4-carbonyl chloride Openeye Name: 6-methyl-2-(4-sec-butylphenyl)quinoline-4-carbonyl chloride CAS Name: 2-(4-butan-2-ylphenyl)-6-methyl-4-quinolinecarbonyl chloride IUPAC Name: 2-(4-butan-2-ylphenyl)-6-methylquinoline-4-carbonyl chloride Traditional Name: 6-methyl-2-(4-sec-butylphenyl)quinoline-4-carbonyl chloride Formula: C21H20ClNO MolecularWeight: 337.8426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)Cl

InChI

InChI=1S/C21H20ClNO/c1-4-14(3)15-6-8-16(9-7-15)20-12-18(21(22)24)17-11-13(2)5-10-19(17)23-20/h5-12,14H,4H2,1-3H3