ethyl 4-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)COC3=C(C=C(C=C3Br)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)COC3=C(C=C(C=C3Br)C)C

InChI

InChI=1S/C25H25BrN2O4/c1-4-31-25(30)20-5-7-21(8-6-20)28(15-19-9-11-27-12-10-19)23(29)16-32-24-18(3)13-17(2)14-22(24)26/h5-14H,4,15-16H2,1-3H3