(E)-2-[4-cyclopropylcarbonyl-2-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]but-2-enedioate

Systemtic Name: (E)-2-[4-cyclopropylcarbonyl-2-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]but-2-enedioate Openeye Name: (E)-2-[4-(cyclopropanecarbonyl)-2-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]but-2-enedioate CAS Name: (E)-2-[4-[cyclopropyl(oxo)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-2-butenedioate IUPAC Name: (E)-2-[4-(cyclopropanecarbonyl)-2-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]but-2-enedioate Traditional Name: (E)-2-[4-(cyclopropanecarbonyl)-2-(3,4,5-trimethoxybenzyl)piperazino]but-2-enedioate Formula: C22H26N2O8-2 MolecularWeight: 446.45044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2CN(CCN2C(=CC(=O)[O-])C(=O)[O-])C(=O)C3CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2CN(CCN2/C(=C/C(=O)[O-])/C(=O)[O-])C(=O)C3CC3

InChI

InChI=1S/C22H28N2O8/c1-30-17-9-13(10-18(31-2)20(17)32-3)8-15-12-23(21(27)14-4-5-14)6-7-24(15)16(22(28)29)11-19(25)26/h9-11,14-15H,4-8,12H2,1-3H3,(H,25,26)(H,28,29)/p-2/b16-11+