tert-butyl 1-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-6-(methylamino)-2H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 1-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-6-(methylamino)-2H-pyridine-3-carboxylate Openeye Name: tert-butyl 1-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-6-(methylamino)-2H-pyridine-3-carboxylate CAS Name: 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-6-(methylamino)-2H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-6-(methylamino)-2H-pyridine-3-carboxylate Traditional Name: 1-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-6-(methylamino)-2H-pyridine-3-carboxylic acid tert-butyl ester Formula: C26H31BrN2O3 MolecularWeight: 499.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(N(C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(N(C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NC

InChI

InChI=1S/C26H31BrN2O3/c1-26(2,3)32-25(30)21-10-13-24(28-4)29(17-21)15-14-20-16-22(27)11-12-23(20)31-18-19-8-6-5-7-9-19/h5-13,16,28H,14-15,17-18H2,1-4H3