[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H20F3NO5 MolecularWeight: 483.43591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)COC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)COC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

InChI

InChI=1S/C26H20F3NO5/c1-14-10-20(15(2)30(14)17-7-5-6-16(11-17)26(27,28)29)23(32)13-35-25(34)21-12-22(31)18-8-3-4-9-19(18)24(21)33/h3-12,31,33H,13H2,1-2H3