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

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl-(3-pyrazol-1-ylphenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl-(3-pyrazol-1-ylbenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-2-[oxo-[3-(1-pyrazolyl)phenyl]methyl]hydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl-(3-pyrazol-1-ylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[piperonyl-(3-pyrazol-1-ylbenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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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)N5C=CC=N5)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)N5C=CC=N5)C(=O)O

InChI

InChI=1S/C26H26N4O6/c31-24(18-6-8-19(9-7-18)26(33)34)28-30(15-17-5-10-22-23(13-17)36-16-35-22)25(32)20-3-1-4-21(14-20)29-12-2-11-27-29/h1-5,10-14,18-19H,6-9,15-16H2,(H,28,31)(H,33,34)