2-(4-butoxyphenyl)-8-chloranyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-butoxyphenyl)-8-chloranyl-quinoline-4-carboxylate Openeye Name: 2-(4-butoxyphenyl)-8-chloro-quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-8-chloro-4-quinolinecarboxylate IUPAC Name: 2-(4-butoxyphenyl)-8-chloroquinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)-8-chloro-cinchoninate Formula: C20H17ClNO3- MolecularWeight: 354.80688

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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)/p-1