[(1S)-2-oxidanylidenecyclohexyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H19NO5/c24-18-8-4-5-9-19(18)28-22(27)15-10-11-16-17(12-15)21(26)23(20(16)25)13-14-6-2-1-3-7-14/h1-3,6-7,10-12,19H,4-5,8-9,13H2/t19-/m0/s1