[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-(4-carbethoxypiperazino)-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C

InChI

InChI=1S/C21H25N3O5/c1-4-28-21(27)24-9-7-23(8-10-24)19(25)13-29-20(26)17-12-15(3)22-18-6-5-14(2)11-16(17)18/h5-6,11-12H,4,7-10,13H2,1-3H3