tert-butyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]pyridine-3-carboxylate

Systemtic Name: tert-butyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]pyridine-3-carboxylate Openeye Name: tert-butyl 6-[2-(2-benzyloxy-5-bromo-phenyl)ethylamino]pyridine-3-carboxylate CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]pyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethylamino]nicotinic acid tert-butyl ester Formula: C25H27BrN2O3 MolecularWeight: 483.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN=C(C=C1)NCCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN=C(C=C1)NCCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27BrN2O3/c1-25(2,3)31-24(29)20-9-12-23(28-16-20)27-14-13-19-15-21(26)10-11-22(19)30-17-18-7-5-4-6-8-18/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,28)