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

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3-keto-2-piperonyl-isoindolin-1-yl)carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N2O6/c1-2-32-26(31)18-10-8-17(9-11-18)24(29)27-23-19-5-3-4-6-20(19)25(30)28(23)14-16-7-12-21-22(13-16)34-15-33-21/h3-7,12-13,17-18,23H,2,8-11,14-15H2,1H3,(H,27,29)