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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-iodanylbenzoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 4-iodobenzoate CAS Name: 4-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] 4-iodobenzoate Traditional Name: 4-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=C(C=C4)I

Isomeric SMILES

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

InChI

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