4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-cyano-phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-cyano-phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-cyano-phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-cyanoanilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-cyanophenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-cyano-2-(piperonylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=C(C=C(C=C2)C#N)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2=C(C=C(C=C2)C#N)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C24H23N3O6/c25-11-14-1-7-19(27-22(28)16-3-5-17(6-4-16)24(30)31)18(9-14)23(29)26-12-15-2-8-20-21(10-15)33-13-32-20/h1-2,7-10,16-17H,3-6,12-13H2,(H,26,29)(H,27,28)(H,30,31)