2-(4-butoxyphenyl)-6-chloranyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-butoxyphenyl)-6-chloranyl-quinoline-4-carboxylate Openeye Name: 2-(4-butoxyphenyl)-6-chloro-quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-6-chloro-4-quinolinecarboxylate IUPAC Name: 2-(4-butoxyphenyl)-6-chloroquinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)-6-chloro-cinchoninate Formula: C20H17ClNO3- MolecularWeight: 354.80688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)[O-]

InChI

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