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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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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)CC4CCCO4

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

InChI=1S/C23H28N2O6/c1-15(20(26)24-10-4-2-3-5-11-24)31-23(29)16-8-9-18-19(13-16)22(28)25(21(18)27)14-17-7-6-12-30-17/h8-9,13,15,17H,2-7,10-12,14H2,1H3