diethyl 4-[(5-methyl-2-oxidanyl-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(5-methyl-2-oxidanyl-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(2-hydroxy-5-methyl-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(2-hydroxy-5-methylanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-hydroxy-5-methylanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-hydroxy-5-methyl-anilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=CC(=C3)C)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=CC(=C3)C)O

InChI

InChI=1S/C22H22N2O5/c1-4-28-21(26)14-7-8-17-15(11-14)20(16(12-23-17)22(27)29-5-2)24-18-10-13(3)6-9-19(18)25/h6-12,25H,4-5H2,1-3H3,(H,23,24)