O3-ethyl O8-methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinoline-3,8-dicarboxylate

Systemtic Name: O3-ethyl O8-methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinoline-3,8-dicarboxylate Openeye Name: O3-ethyl O8-methyl 4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3,8-dicarboxylate CAS Name: 4-[4-(4-methyl-1-piperazinyl)anilino]quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester IUPAC Name: 3-O-ethyl 8-O-methyl 4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3,8-dicarboxylate Traditional Name: 4-[4-(4-methylpiperazino)anilino]quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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