[3,5-bis(trifluoromethyl)phenyl]methanol; tert-butyl 6-methyl-2-phenyl-piperidine-3-carboxylate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methanol; tert-butyl 6-methyl-2-phenyl-piperidine-3-carboxylate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methanol; tert-butyl 6-methyl-2-phenyl-piperidine-3-carboxylate CAS Name: [3,5-bis(trifluoromethyl)phenyl]methanol; 6-methyl-2-phenyl-3-piperidinecarboxylic acid tert-butyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanol; tert-butyl 6-methyl-2-phenylpiperidine-3-carboxylate Traditional Name: [3,5-bis(trifluoromethyl)phenyl]methanol; 6-methyl-2-phenyl-nipecotic acid tert-butyl ester Formula: C26H31F6NO3 MolecularWeight: 519.519659

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(N1)C2=CC=CC=C2)C(=O)OC(C)(C)C.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO

Isomeric SMILES

CC1CCC(C(N1)C2=CC=CC=C2)C(=O)OC(C)(C)C.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO

InChI

InChI=1S/C17H25NO2.C9H6F6O/c1-12-10-11-14(16(19)20-17(2,3)4)15(18-12)13-8-6-5-7-9-13;10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h5-9,12,14-15,18H,10-11H2,1-4H3;1-3,16H,4H2