[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H25BrN2O6 MolecularWeight: 493.3477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O6/c1-5-10-30-20-17(23)11-15(12-18(20)29-4)22(28)31-13-19(26)24-16-8-6-14(7-9-16)21(27)25(2)3/h6-9,11-12H,5,10,13H2,1-4H3,(H,24,26)