(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H24N2O5/c1-2-13-27-22(28)19-12-11-18(16-20(19)23(27)29)25(31)32-21(17-9-5-3-6-10-17)24(30)26-14-7-4-8-15-26/h2-3,5-6,9-12,16,21H,1,4,7-8,13-15H2