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

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

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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)NCCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

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