methyl 5-methyl-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]-2H-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 5-methyl-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]-2H-1-benzoxepine-4-carboxylate Openeye Name: methyl 3-hydroxy-5-methyl-3-[4-(trifluoromethyl)phenyl]-2H-1-benzoxepine-4-carboxylate CAS Name: 3-hydroxy-5-methyl-3-[4-(trifluoromethyl)phenyl]-2H-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-5-methyl-3-[4-(trifluoromethyl)phenyl]-2H-1-benzoxepine-4-carboxylate Traditional Name: 3-hydroxy-5-methyl-3-[4-(trifluoromethyl)phenyl]-2H-1-benzoxepin-4-carboxylic acid methyl ester Formula: C20H17F3O4 MolecularWeight: 378.34179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(COC2=CC=CC=C12)(C3=CC=C(C=C3)C(F)(F)F)O)C(=O)OC

Isomeric SMILES

CC1=C(C(COC2=CC=CC=C12)(C3=CC=C(C=C3)C(F)(F)F)O)C(=O)OC

InChI

InChI=1S/C20H17F3O4/c1-12-15-5-3-4-6-16(15)27-11-19(25,17(12)18(24)26-2)13-7-9-14(10-8-13)20(21,22)23/h3-10,25H,11H2,1-2H3