[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C19H21BrN2O5/c1-4-22(11-13-5-6-16(25-2)17(7-13)26-3)18(23)12-27-19(24)14-8-15(20)10-21-9-14/h5-10H,4,11-12H2,1-3H3