[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO5/c1-3-15-4-6-16(7-5-15)14(2)22-20(23)13-27-21(24)17-8-9-18-19(12-17)26-11-10-25-18/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,22,23)