[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H21N3O5/c27-21(15-29-22(28)16-4-7-18(8-5-16)26-13-3-12-24-26)25-17-6-9-19-20(14-17)31-23(30-19)10-1-2-11-23/h3-9,12-14H,1-2,10-11,15H2,(H,25,27)