[2-(hexylamino)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-2-3-4-8-13-25-21(27)16-31-24(30)18-11-12-19-20(14-18)23(29)26(22(19)28)15-17-9-6-5-7-10-17/h5-7,9-12,14H,2-4,8,13,15-16H2,1H3,(H,25,27)