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

Systemtic Name: tert-butyl 1-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Openeye Name: tert-butyl 1-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-6-(ethylamino)-2H-pyridine-3-carboxylate CAS Name: 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-6-(ethylamino)-2H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Traditional Name: 1-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-6-(ethylamino)-2H-pyridine-3-carboxylic acid tert-butyl ester Formula: C27H33BrN2O3 MolecularWeight: 513.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(CN1CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCNC1=CC=C(CN1CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33BrN2O3/c1-5-29-25-14-11-22(26(31)33-27(2,3)4)18-30(25)16-15-21-17-23(28)12-13-24(21)32-19-20-9-7-6-8-10-20/h6-14,17,29H,5,15-16,18-19H2,1-4H3