(2S)-2-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-oxidanyl-methyl]cyclopentan-1-one

Systemtic Name: (2S)-2-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-oxidanyl-methyl]cyclopentan-1-one Openeye Name: (2S)-2-[(R)-[2,8-bis(trifluoromethyl)-4-quinolyl]-hydroxy-methyl]cyclopentanone CAS Name: (2S)-2-[(R)-[2,8-bis(trifluoromethyl)-4-quinolinyl]-hydroxymethyl]-1-cyclopentanone IUPAC Name: (2S)-2-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]cyclopentan-1-one Traditional Name: (2S)-2-[(R)-[2,8-bis(trifluoromethyl)-4-quinolyl]-hydroxy-methyl]cyclopentanone Formula: C17H13F6NO2 MolecularWeight: 377.281039

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

C1C[C@H](C(=O)C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C17H13F6NO2/c18-16(19,20)11-5-1-3-8-10(15(26)9-4-2-6-12(9)25)7-13(17(21,22)23)24-14(8)11/h1,3,5,7,9,15,26H,2,4,6H2/t9-,15-/m1/s1