(4-oxidanylidene-4-phenyl-butyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (4-keto-4-phenyl-butyl) ester Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19NO5/c1-2-12-23-20(25)17-11-10-16(14-18(17)21(23)26)22(27)28-13-6-9-19(24)15-7-4-3-5-8-15/h2-5,7-8,10-11,14H,1,6,9,12-13H2