[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c1-2-11-23-19(25)14-29-22(28)16-8-9-17-18(13-16)21(27)24(20(17)26)12-10-15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2,(H,23,25)