[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

InChI

InChI=1S/C22H28N2O6/c1-15(19(25)23-10-5-3-4-6-11-23)30-22(28)16-8-9-17-18(14-16)21(27)24(20(17)26)12-7-13-29-2/h8-9,14-15H,3-7,10-13H2,1-2H3