[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 2-(2-oxolanylmethoxy)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(oxolan-2-ylmethoxy)benzoate Traditional Name: 2-(tetrahydrofurfuryloxy)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC=C2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(OC1)COC2=CC=CC=C2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO7/c23-20(22-14-7-8-18-19(10-14)29-13-28-18)12-27-21(24)16-5-1-2-6-17(16)26-11-15-4-3-9-25-15/h1-2,5-8,10,15H,3-4,9,11-13H2,(H,22,23)