O3-ethyl O6-methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3,6-dicarboxylate CAS Name: 4-[4-(4-methyl-1-piperazinyl)anilino]quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3,6-dicarboxylate Traditional Name: 4-[4-(4-methylpiperazino)anilino]quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CCN(CC4)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CCN(CC4)C)C(=O)OC

InChI

InChI=1S/C25H28N4O4/c1-4-33-25(31)21-16-26-22-10-5-17(24(30)32-3)15-20(22)23(21)27-18-6-8-19(9-7-18)29-13-11-28(2)12-14-29/h5-10,15-16H,4,11-14H2,1-3H3,(H,26,27)