[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C25H25N3O6 MolecularWeight: 463.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O6/c1-31-21-15-28(18-8-4-2-5-9-18)27-23(21)24(30)32-16-22(29)26-17-10-11-19-20(14-17)34-25(33-19)12-6-3-7-13-25/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,26,29)