ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromanyl-3-oxidanylidene-1H-isoindol-4-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromanyl-3-oxidanylidene-1H-isoindol-4-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-3-oxo-isoindolin-4-yl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-3-oxo-1H-isoindol-4-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-3-oxo-1H-isoindol-4-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[(7-bromo-3-keto-2-piperonyl-isoindolin-4-yl)carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H27BrN2O6 MolecularWeight: 543.40638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NC2=C3C(=C(C=C2)Br)CN(C3=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NC2=C3C(=C(C=C2)Br)CN(C3=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27BrN2O6/c1-2-33-26(32)17-6-4-16(5-7-17)24(30)28-20-9-8-19(27)18-13-29(25(31)23(18)20)12-15-3-10-21-22(11-15)35-14-34-21/h3,8-11,16-17H,2,4-7,12-14H2,1H3,(H,28,30)