[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C23H22N2O7 MolecularWeight: 438.42998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)OC

InChI

InChI=1S/C23H22N2O7/c1-4-9-25-21(27)16-7-6-15(11-17(16)22(25)28)23(29)32-13-20(26)24-12-14-5-8-18(30-2)19(10-14)31-3/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,24,26)