8-butan-2-yl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 8-butan-2-yl-2-[(4-chlorophenyl)methyl]-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-sec-butyl-quinoline-4-carboxylic acid CAS Name: 8-butan-2-yl-2-[(4-chlorophenyl)methyl]-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 8-butan-2-yl-2-[(4-chlorophenyl)methyl]-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-8-sec-butyl-cinchoninic acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C21H20ClNO3/c1-3-12(2)15-5-4-6-16-18(21(25)26)20(24)17(23-19(15)16)11-13-7-9-14(22)10-8-13/h4-10,12,24H,3,11H2,1-2H3,(H,25,26)