1-[4-(2-methoxy-5-thiophen-2-yl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one

Systemtic Name: 1-[4-(2-methoxy-5-thiophen-2-yl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one Openeye Name: 1-[2-hydroxy-4-[2-methoxy-5-(2-thienyl)phenyl]-4-methyl-2-(trifluoromethyl)pentyl]quinolin-4-one CAS Name: 1-[2-hydroxy-4-(2-methoxy-5-thiophen-2-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-4-quinolinone IUPAC Name: 1-[2-hydroxy-4-(2-methoxy-5-thiophen-2-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]quinolin-4-one Traditional Name: 1-[2-hydroxy-4-[2-methoxy-5-(2-thienyl)phenyl]-4-methyl-2-(trifluoromethyl)pentyl]-4-quinolone Formula: C27H26F3NO3S MolecularWeight: 501.56045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C(C=CC(=C3)C4=CC=CS4)OC

Isomeric SMILES

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C(C=CC(=C3)C4=CC=CS4)OC

InChI

InChI=1S/C27H26F3NO3S/c1-25(2,20-15-18(10-11-23(20)34-3)24-9-6-14-35-24)16-26(33,27(28,29)30)17-31-13-12-22(32)19-7-4-5-8-21(19)31/h4-15,33H,16-17H2,1-3H3