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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5/c27-17-26(12-5-2-6-13-26)28-22(30)16-34-25(33)19-9-10-20-21(15-19)24(32)29(23(20)31)14-11-18-7-3-1-4-8-18/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,28,30)