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

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl-(3-cyanophenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl-(3-cyanobenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanophenyl)-oxomethyl]hydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl-(3-cyanobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-cyanobenzoyl)-piperonyl-amino]carbamoyl]cyclohexanecarboxylic acid Formula: C24H23N3O6 MolecularWeight: 449.45592

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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#N)C(=O)O

Isomeric SMILES

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

InChI

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