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

Systemtic Name: tert-butyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-2-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-2-keto-1H-pyridine-3-carboxylic 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)C3=CC=C(C(=O)N3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=CC=C(C(=O)N3)C(=O)OC(C)(C)C

InChI

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