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

Systemtic Name: methyl 1-[bromanyl-[2-(pyridin-4-ylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Openeye Name: methyl 1-[bromo-[2-(4-pyridylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate CAS Name: 1-[bromo-[2-(pyridin-4-ylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[bromo-[2-(pyridin-4-ylmethoxy)phenyl]methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Traditional Name: 1-[bromo-[2-(4-pyridylmethoxy)phenyl]methyl]-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(CN1C(C2=CC=CC=C2OCC3=CC=NC=C3)Br)C(=O)OC

Isomeric SMILES

CCNC1=CC=C(CN1C(C2=CC=CC=C2OCC3=CC=NC=C3)Br)C(=O)OC

InChI

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