6-butan-2-yl-2-(5-chloranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(5-chloranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(5-chloro-2-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(5-chloro-2-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-6-sec-butyl-cinchoninic acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H20ClNO3/c1-4-12(2)13-5-7-18-15(9-13)16(21(24)25)11-19(23-18)17-10-14(22)6-8-20(17)26-3/h5-12H,4H2,1-3H3,(H,24,25)