[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(4-carbethoxypiperazino)-2-keto-ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C21H23N3O7/c1-3-7-24-18(26)15-6-5-14(12-16(15)19(24)27)20(28)31-13-17(25)22-8-10-23(11-9-22)21(29)30-4-2/h3,5-6,12H,1,4,7-11,13H2,2H3