ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1-piperazinylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(piperazinomethyl)quinoline-3-carboxylic acid ethyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3CCNCC3)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3CCNCC3)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O6/c1-6-36-27(31)26-20(16-30-11-9-28-10-12-30)29-19-15-24(35-5)23(34-4)14-18(19)25(26)17-7-8-21(32-2)22(13-17)33-3/h7-8,13-15,28H,6,9-12,16H2,1-5H3