[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic 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=C(C3=CC=CC=C3N=C2C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2C)C

InChI

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