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

Systemtic Name: methyl 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Openeye Name: methyl 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-2H-pyridine-3-carboxylic acid methyl ester Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O3/c1-3-25-22-12-9-18(23(27)28-2)14-26(22)15-19-13-20(24)10-11-21(19)29-16-17-7-5-4-6-8-17/h4-13,25H,3,14-16H2,1-2H3