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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic 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] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] ester Formula: C20H18INO5 MolecularWeight: 479.26509

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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(=CC=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C20H18INO5/c21-14-5-3-4-13(10-14)19(24)25-12-18(23)22-15-6-7-16-17(11-15)27-20(26-16)8-1-2-9-20/h3-7,10-11H,1-2,8-9,12H2,(H,22,23)