[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26BrNO7 MolecularWeight: 496.34834

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)OC)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)OC)OC)OC

InChI

InChI=1S/C22H26BrNO7/c1-6-9-30-20-16(23)10-14(11-19(20)29-5)22(26)31-13(2)21(25)24-17-12-15(27-3)7-8-18(17)28-4/h7-8,10-13H,6,9H2,1-5H3,(H,24,25)