2-[4-[[2,6-bis(chloranyl)phenyl]methoxy]-3-methoxy-phenyl]-8-methoxy-quinoline-4-carboxylate

Systemtic Name: 2-[4-[[2,6-bis(chloranyl)phenyl]methoxy]-3-methoxy-phenyl]-8-methoxy-quinoline-4-carboxylate Openeye Name: 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]-8-methoxy-quinoline-4-carboxylate CAS Name: 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-8-methoxy-4-quinolinecarboxylate IUPAC Name: 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-8-methoxyquinoline-4-carboxylate Traditional Name: 2-[4-(2,6-dichlorobenzyl)oxy-3-methoxy-phenyl]-8-methoxy-cinchoninate Formula: C25H18Cl2NO5- MolecularWeight: 483.32012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)OC

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)OC

InChI

InChI=1S/C25H19Cl2NO5/c1-31-22-8-3-5-15-16(25(29)30)12-20(28-24(15)22)14-9-10-21(23(11-14)32-2)33-13-17-18(26)6-4-7-19(17)27/h3-12H,13H2,1-2H3,(H,29,30)/p-1