2-(3-butoxyphenyl)-8-chloranyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-butoxyphenyl)-8-chloranyl-quinoline-4-carboxylate Openeye Name: 2-(3-butoxyphenyl)-8-chloro-quinoline-4-carboxylate CAS Name: 2-(3-butoxyphenyl)-8-chloro-4-quinolinecarboxylate IUPAC Name: 2-(3-butoxyphenyl)-8-chloroquinoline-4-carboxylate Traditional Name: 2-(3-butoxyphenyl)-8-chloro-cinchoninate Formula: C20H17ClNO3- MolecularWeight: 354.80688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)[O-]

InChI

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