dimethyl 2-[[(8-oxidanylquinolin-7-yl)-pyridin-3-yl-methyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(8-oxidanylquinolin-7-yl)-pyridin-3-yl-methyl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(8-hydroxy-7-quinolyl)-(3-pyridyl)methyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(8-hydroxy-7-quinolinyl)-(3-pyridinyl)methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(8-hydroxy-7-quinolyl)-(3-pyridyl)methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C25H21N3O5/c1-32-24(30)16-8-9-18(25(31)33-2)20(13-16)28-21(17-6-3-11-26-14-17)19-10-7-15-5-4-12-27-22(15)23(19)29/h3-14,21,28-29H,1-2H3