3-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate

Systemtic Name: 3-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate Openeye Name: 3-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate CAS Name: 3-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-oxomethyl]-6-(trifluoromethyl)-2-pyridinolate IUPAC Name: 3-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylcarbamoyl]-6-(trifluoromethyl)pyridin-2-olate Traditional Name: 3-[(4-benzoxy-3-methoxy-benzyl)-methyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate Formula: C23H20F3N2O4- MolecularWeight: 445.41111

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C23H21F3N2O4/c1-28(22(30)17-9-11-20(23(24,25)26)27-21(17)29)13-16-8-10-18(19(12-16)31-2)32-14-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,27,29)/p-1