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

Systemtic Name: 2-(4-butylphenyl)-8-chloranyl-quinoline-4-carboxylate Openeye Name: 2-(4-butylphenyl)-8-chloro-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-8-chloro-4-quinolinecarboxylate IUPAC Name: 2-(4-butylphenyl)-8-chloroquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-8-chloro-cinchoninate Formula: C20H17ClNO2- MolecularWeight: 338.80748

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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)/p-1