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

Systemtic Name: tert-butyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: tert-butyl 6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amino]nicotinic acid tert-butyl ester Formula: C27H31BrN2O3 MolecularWeight: 511.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H31BrN2O3/c1-5-30(25-14-11-22(18-29-25)26(31)33-27(2,3)4)16-15-21-17-23(28)12-13-24(21)32-19-20-9-7-6-8-10-20/h6-14,17-18H,5,15-16,19H2,1-4H3