4-[[1,3-benzodioxol-5-ylmethyl(phenylcarbonyl)amino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(phenylcarbonyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(benzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-2-benzoylhydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(benzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[benzoyl(piperonyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H24N2O6/c26-21(16-7-9-18(10-8-16)23(28)29)24-25(22(27)17-4-2-1-3-5-17)13-15-6-11-19-20(12-15)31-14-30-19/h1-6,11-12,16,18H,7-10,13-14H2,(H,24,26)(H,28,29)