[4-[(2,4-dimethoxyphenyl)methyl]-2,3-bis(oxidanylidene)piperazin-1-yl] 3-phenylpropanoate

Systemtic Name: [4-[(2,4-dimethoxyphenyl)methyl]-2,3-bis(oxidanylidene)piperazin-1-yl] 3-phenylpropanoate Openeye Name: [4-[(2,4-dimethoxyphenyl)methyl]-2,3-dioxo-piperazin-1-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[(2,4-dimethoxyphenyl)methyl]-2,3-dioxo-1-piperazinyl] ester IUPAC Name: [4-[(2,4-dimethoxyphenyl)methyl]-2,3-dioxopiperazin-1-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-(2,4-dimethoxybenzyl)-2,3-diketo-piperazino] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(C(=O)C2=O)OC(=O)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(C(=O)C2=O)OC(=O)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O6/c1-28-18-10-9-17(19(14-18)29-2)15-23-12-13-24(22(27)21(23)26)30-20(25)11-8-16-6-4-3-5-7-16/h3-7,9-10,14H,8,11-13,15H2,1-2H3