methyl (E)-4-(4-butanoylpiperazin-1-yl)-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-(4-butanoylpiperazin-1-yl)-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-(4-butanoylpiperazin-1-yl)-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[4-(1-oxobutyl)-1-piperazinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-butanoylpiperazin-1-yl)-4-oxobut-2-enoate Traditional Name: (E)-4-(4-butyrylpiperazino)-4-keto-but-2-enoic acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C=CC(=O)OC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)/C=C/C(=O)OC

InChI

InChI=1S/C13H20N2O4/c1-3-4-11(16)14-7-9-15(10-8-14)12(17)5-6-13(18)19-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+