[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)propanoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C21H22BrNO7 MolecularWeight: 480.30588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C21H22BrNO7/c1-2-26-14-3-5-15(6-4-14)27-8-7-21(25)30-13-20(24)23-17-12-19-18(11-16(17)22)28-9-10-29-19/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,24)