methyl 6-[[5-bromanyl-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[5-bromanyl-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[5-bromo-2-(4-pyridylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(4-pyridylmethoxy)benzyl]-ethyl-amino]nicotinic acid methyl ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=NC=C2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=NC=C2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22BrN3O3/c1-3-26(21-7-4-17(13-25-21)22(27)28-2)14-18-12-19(23)5-6-20(18)29-15-16-8-10-24-11-9-16/h4-13H,3,14-15H2,1-2H3