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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-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)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3)C4(CCCCC4)C#N

InChI

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