2-[5-bromanylpentyl(ethyl)amino]ethyl 3,4,5-trimethoxybenzoate; ethanedioic acid

Systemtic Name: 2-[5-bromanylpentyl(ethyl)amino]ethyl 3,4,5-trimethoxybenzoate; ethanedioic acid Openeye Name: 2-[5-bromopentyl(ethyl)amino]ethyl 3,4,5-trimethoxybenzoate; oxalic acid CAS Name: oxalic acid; 3,4,5-trimethoxybenzoic acid 2-[5-bromopentyl(ethyl)amino]ethyl ester IUPAC Name: 2-[5-bromopentyl(ethyl)amino]ethyl 3,4,5-trimethoxybenzoate; oxalic acid Traditional Name: oxalic acid; 3,4,5-trimethoxybenzoic acid 2-[5-bromopentyl(ethyl)amino]ethyl ester Formula: C21H32BrNO9 MolecularWeight: 522.38408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCBr)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CCCCCBr)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30BrNO5.C2H2O4/c1-5-21(10-8-6-7-9-20)11-12-26-19(22)15-13-16(23-2)18(25-4)17(14-15)24-3;3-1(4)2(5)6/h13-14H,5-12H2,1-4H3;(H,3,4)(H,5,6)