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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC=C(C=C1)C(=O)OC)C(C2=CC=CC=C2OCC3=CC=NC=C3)Br

Isomeric SMILES

CCN(C1=NC=C(C=C1)C(=O)OC)C(C2=CC=CC=C2OCC3=CC=NC=C3)Br

InChI

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