ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[(2-benzyloxy-5-bromo-phenyl)methylamino]-2-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)amino]-2-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(NC1=O)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(NC1=O)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrN2O4/c1-2-28-22(27)18-9-11-20(25-21(18)26)24-13-16-12-17(23)8-10-19(16)29-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3,(H2,24,25,26)