[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O6/c1-2-10-25-19(27)16-9-8-15(11-17(16)20(25)28)21(29)31-13-18(26)24-22(30)23-12-14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2,(H2,23,24,26,30)