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

Systemtic Name: 2-[4-[[2,6-bis(chloranyl)phenyl]methoxy]-3-methoxy-phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[4-(2,6-dichlorobenzyl)oxy-3-methoxy-phenyl]-6-methyl-cinchoninate Formula: C25H18Cl2NO4- MolecularWeight: 467.32072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)OC

InChI

InChI=1S/C25H19Cl2NO4/c1-14-6-8-21-16(10-14)17(25(29)30)12-22(28-21)15-7-9-23(24(11-15)31-2)32-13-18-19(26)4-3-5-20(18)27/h3-12H,13H2,1-2H3,(H,29,30)/p-1