ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dihydroisoindol-1-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dihydroisoindol-1-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)isoindolin-1-yl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dihydroisoindol-1-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dihydroisoindol-1-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[(2-piperonylisoindolin-1-yl)carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NC2C3=CC=CC=C3CN2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NC2C3=CC=CC=C3CN2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N2O5/c1-2-31-26(30)19-10-8-18(9-11-19)25(29)27-24-21-6-4-3-5-20(21)15-28(24)14-17-7-12-22-23(13-17)33-16-32-22/h3-7,12-13,18-19,24H,2,8-11,14-16H2,1H3,(H,27,29)