2-(4-butylphenyl)-8-chloranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butylphenyl)-8-chloranyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butylphenyl)-8-chloro-quinoline-4-carboxylic acid CAS Name: 2-(4-butylphenyl)-8-chloro-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butylphenyl)-8-chloroquinoline-4-carboxylic acid Traditional Name: 2-(4-butylphenyl)-8-chloro-cinchoninic acid Formula: C20H18ClNO2 MolecularWeight: 339.81542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

InChI

InChI=1S/C20H18ClNO2/c1-2-3-5-13-8-10-14(11-9-13)18-12-16(20(23)24)15-6-4-7-17(21)19(15)22-18/h4,6-12H,2-3,5H2,1H3,(H,23,24)