O1-methyl O4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] (E)-but-2-enedioate

Systemtic Name: O1-methyl O4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] (E)-but-2-enedioate Openeye Name: O4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] O1-methyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: 4-O-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(4-benzylpiperazino)-2-keto-ethyl] ester O1-methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OCC(=O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C(=O)OCC(=O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5/c1-24-17(22)7-8-18(23)25-14-16(21)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3/b8-7+