tert-butyl 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: tert-butyl 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: tert-butyl 1-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-2-oxo-pyridine-3-carboxylate CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-oxo-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-oxopyridine-3-carboxylate Traditional Name: 1-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-2-keto-nicotinic acid tert-butyl ester Formula: C26H29BrN2O4 MolecularWeight: 513.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)N3C=CC=C(C3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)N3C=CC=C(C3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H29BrN2O4/c1-5-28(29-15-9-12-22(24(29)30)25(31)33-26(2,3)4)17-20-16-21(27)13-14-23(20)32-18-19-10-7-6-8-11-19/h6-16H,5,17-18H2,1-4H3