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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-acetamidobenzoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

InChI

InChI=1S/C22H22N2O6/c1-14(25)23-16-6-4-15(5-7-16)21(27)28-13-20(26)24-17-8-9-18-19(12-17)30-22(29-18)10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,25)(H,24,26)