[4-(2-dimethylaminoethyl)phenyl] 3,4,5-trimethoxybenzoate bromide

Systemtic Name: [4-(2-dimethylaminoethyl)phenyl] 3,4,5-trimethoxybenzoate bromide Openeye Name: [4-(2-dimethylaminoethyl)phenyl] 3,4,5-trimethoxybenzoate bromide CAS Name: 3,4,5-trimethoxybenzoic acid [4-(2-dimethylaminoethyl)phenyl] ester bromide IUPAC Name: [4-(2-dimethylaminoethyl)phenyl] 3,4,5-trimethoxybenzoate bromide Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(2-dimethylaminoethyl)phenyl] ester bromide Formula: C20H25BrNO5- MolecularWeight: 439.3202

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Br-]

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Br-]

InChI

InChI=1S/C20H25NO5.BrH/c1-21(2)11-10-14-6-8-16(9-7-14)26-20(22)15-12-17(23-3)19(25-5)18(13-15)24-4;/h6-9,12-13H,10-11H2,1-5H3;1H/p-1