6-butan-2-yl-2-(3-chloranyl-4-methoxy-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(3-chloranyl-4-methoxy-phenyl)quinoline-4-carboxylic acid Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(3-chloro-4-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(3-chloro-4-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=CC(=C(C=C3)OC)Cl

Isomeric SMILES

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

InChI

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