2-[2-[[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]-3-oxidanylidene-cyclohexen-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]-3-oxidanylidene-cyclohexen-1-yl]ethanoic acid Openeye Name: 2-[2-[[6-methoxy-5-(trifluoromethyl)-1-naphthyl]methyl]-3-oxo-cyclohexen-1-yl]acetic acid CAS Name: 2-[2-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]methyl]-3-oxo-1-cyclohexenyl]acetic acid IUPAC Name: 2-[2-[[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]-3-oxocyclohexen-1-yl]acetic acid Traditional Name: 2-[3-keto-2-[[6-methoxy-5-(trifluoromethyl)-1-naphthyl]methyl]cyclohexen-1-yl]acetic acid Formula: C21H19F3O4 MolecularWeight: 392.36837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC=C2)CC3=C(CCCC3=O)CC(=O)O)C(F)(F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC=C2)CC3=C(CCCC3=O)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C21H19F3O4/c1-28-18-9-8-14-12(4-2-6-15(14)20(18)21(22,23)24)10-16-13(11-19(26)27)5-3-7-17(16)25/h2,4,6,8-9H,3,5,7,10-11H2,1H3,(H,26,27)