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

Systemtic Name: 2-(4-butoxyphenyl)-8-chloranyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-8-chloro-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-8-chloro-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-8-chloroquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-8-chloro-cinchoninic acid Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

InChI

InChI=1S/C20H18ClNO3/c1-2-3-11-25-14-9-7-13(8-10-14)18-12-16(20(23)24)15-5-4-6-17(21)19(15)22-18/h4-10,12H,2-3,11H2,1H3,(H,23,24)