ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[(2-benzyloxy-5-bromo-phenyl)methylamino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)amino]nicotinic acid ethyl ester Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrN2O3/c1-2-27-22(26)17-8-11-21(24-13-17)25-14-18-12-19(23)9-10-20(18)28-15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,24,25)