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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-ethylbenzoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

InChI

InChI=1S/C22H23NO5/c1-2-15-5-7-16(8-6-15)21(25)26-14-20(24)23-17-9-10-18-19(13-17)28-22(27-18)11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,24)