[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C21H22ClNO6/c1-13(20(24)23-8-7-14-3-5-16(26-2)6-4-14)29-21(25)15-11-17(22)19-18(12-15)27-9-10-28-19/h3-6,11-13H,7-10H2,1-2H3,(H,23,24)