(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC(=O)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC(=O)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C22H25ClN2O6/c1-3-15-10-19-17(12-18(15)23)16(11-22(29)31-19)13-30-21(28)5-4-20(27)25-8-6-24(7-9-25)14(2)26/h10-12H,3-9,13H2,1-2H3