[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C25H23N3O6/c1-3-13-28-23(30)20-11-6-17(15-21(20)24(28)31)25(32)34-16-22(29)27(14-5-12-26)18-7-9-19(10-8-18)33-4-2/h3,6-11,15H,1,4-5,13-14,16H2,2H3