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

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC(=O)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC(=O)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C21H24ClN3O4/c1-14-16-5-3-4-6-17(16)23-18(21(14)22)13-29-20(28)8-7-19(27)25-11-9-24(10-12-25)15(2)26/h3-6H,7-13H2,1-2H3