[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H24BrNO7 MolecularWeight: 494.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCC2=CC3=C(C=C2)OCCO3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCC2=CC3=C(C=C2)OCCO3)Br)OC

InChI

InChI=1S/C22H24BrNO7/c1-3-28-19-12-15(11-16(23)21(19)27-2)22(26)31-13-20(25)24-7-6-14-4-5-17-18(10-14)30-9-8-29-17/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,25)