2-(4-butylphenyl)-6-chloranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butylphenyl)-6-chloranyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butylphenyl)-6-chloro-quinoline-4-carboxylic acid CAS Name: 2-(4-butylphenyl)-6-chloro-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butylphenyl)-6-chloroquinoline-4-carboxylic acid Traditional Name: 2-(4-butylphenyl)-6-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=C(C=C3)Cl)C(=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O

InChI

InChI=1S/C20H18ClNO2/c1-2-3-4-13-5-7-14(8-6-13)19-12-17(20(23)24)16-11-15(21)9-10-18(16)22-19/h5-12H,2-4H2,1H3,(H,23,24)