methyl 6-[[5-bromanyl-2-(2-methylpropoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[5-bromanyl-2-(2-methylpropoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[(5-bromo-2-isobutoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[(5-bromo-2-isobutoxy-benzyl)-ethyl-amino]nicotinic acid methyl ester Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(C)C)C2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(C)C)C2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H25BrN2O3/c1-5-23(19-9-6-15(11-22-19)20(24)25-4)12-16-10-17(21)7-8-18(16)26-13-14(2)3/h6-11,14H,5,12-13H2,1-4H3