methyl 1-[[5-bromanyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate

Systemtic Name: methyl 1-[[5-bromanyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Openeye Name: methyl 1-[[5-bromo-2-(4-pyridylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate CAS Name: 1-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Traditional Name: 1-[5-bromo-2-(4-pyridylmethoxy)benzyl]-6-(ethylamino)-2H-pyridine-3-carboxylic acid methyl ester Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)OCC3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)OCC3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C22H24BrN3O3/c1-3-25-21-7-4-17(22(27)28-2)13-26(21)14-18-12-19(23)5-6-20(18)29-15-16-8-10-24-11-9-16/h4-12,25H,3,13-15H2,1-2H3