(2-chloranylquinolin-3-yl)methyl 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2-chloro-3-quinolyl)methyl 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C20H22ClN3O4/c1-14(25)23-8-10-24(11-9-23)18(26)6-7-19(27)28-13-16-12-15-4-2-3-5-17(15)22-20(16)21/h2-5,12H,6-11,13H2,1H3