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

Systemtic Name: tert-butyl 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-methyl-amino]pyridine-3-carboxylate Openeye Name: tert-butyl 6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl-methyl-amino]pyridine-3-carboxylate CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-methylamino]-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-methylamino]pyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethyl-methyl-amino]nicotinic acid tert-butyl ester Formula: C26H29BrN2O3 MolecularWeight: 497.42406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrN2O3/c1-26(2,3)32-25(30)21-10-13-24(28-17-21)29(4)15-14-20-16-22(27)11-12-23(20)31-18-19-8-6-5-7-9-19/h5-13,16-17H,14-15,18H2,1-4H3