ethyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-oxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-7-(piperonylcarbamoyl)isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O6/c1-2-32-25(31)27-10-8-18(9-11-27)28-14-17-4-3-5-19(22(17)24(28)30)23(29)26-13-16-6-7-20-21(12-16)34-15-33-20/h3-7,12,18H,2,8-11,13-15H2,1H3,(H,26,29)