O3-ethyl O8-methyl 4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3,8-dicarboxylate

Systemtic Name: O3-ethyl O8-methyl 4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3,8-dicarboxylate Openeye Name: O3-ethyl O8-methyl 4-(4-benzylpiperazin-1-yl)quinoline-3,8-dicarboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester IUPAC Name: 3-O-ethyl 8-O-methyl 4-(4-benzylpiperazin-1-yl)quinoline-3,8-dicarboxylate Traditional Name: 4-(4-benzylpiperazino)quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC=C2C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC=C2C(=O)OC

InChI

InChI=1S/C25H27N3O4/c1-3-32-25(30)21-16-26-22-19(10-7-11-20(22)24(29)31-2)23(21)28-14-12-27(13-15-28)17-18-8-5-4-6-9-18/h4-11,16H,3,12-15,17H2,1-2H3