ethyl 3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[(4-carbethoxypiperazino)methyl]-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H25N3O5/c1-3-27-19(25)17-15(18(24)14-7-5-6-8-16(14)21-17)13-22-9-11-23(12-10-22)20(26)28-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,21,24)