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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)[O-]

InChI

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