ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-2-prop-2-enoxy-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-2-prop-2-enoxy-pyridine-3-carboxylate Openeye Name: ethyl 2-allyloxy-6-[(2-benzyloxy-5-bromo-phenyl)methylamino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-prop-2-enoxy-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-prop-2-enoxypyridine-3-carboxylate Traditional Name: 2-allyloxy-6-[(2-benzoxy-5-bromo-benzyl)amino]nicotinic acid ethyl ester Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O4/c1-3-14-31-24-21(25(29)30-4-2)11-13-23(28-24)27-16-19-15-20(26)10-12-22(19)32-17-18-8-6-5-7-9-18/h3,5-13,15H,1,4,14,16-17H2,2H3,(H,27,28)