[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C28H23N3O5 MolecularWeight: 481.49932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O5/c29-15-7-16-30(22-10-5-2-6-11-22)25(32)19-36-28(35)21-12-13-23-24(18-21)27(34)31(26(23)33)17-14-20-8-3-1-4-9-20/h1-6,8-13,18H,7,14,16-17,19H2