[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C27H27N3O5/c1-18(24(31)29(16-8-15-28)20-9-4-2-5-10-20)35-27(34)19-13-14-22-23(17-19)26(33)30(25(22)32)21-11-6-3-7-12-21/h2,4-5,9-10,13-14,17-18,21H,3,6-8,11-12,16H2,1H3