[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO5/c1-3-14-4-6-15(7-5-14)20(23)26-13(2)19(22)21-16-8-9-17-18(12-16)25-11-10-24-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,22)