3-[[3,5-bis(trifluoromethyl)phenyl]methoxy-phenyl-methyl]-4-(1H-imidazol-5-yl)-4-oxidanylidene-3-piperidin-1-yl-butanal

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy-phenyl-methyl]-4-(1H-imidazol-5-yl)-4-oxidanylidene-3-piperidin-1-yl-butanal Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy-phenyl-methyl]-4-(1H-imidazol-5-yl)-4-oxo-3-(1-piperidyl)butanal CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy-phenylmethyl]-4-(1H-imidazol-5-yl)-4-oxo-3-(1-piperidinyl)butanal IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy-phenylmethyl]-4-(1H-imidazol-5-yl)-4-oxo-3-piperidin-1-ylbutanal Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]oxy-phenyl-methyl]-4-(1H-imidazol-5-yl)-4-keto-3-piperidino-butyraldehyde Formula: C28H27F6N3O3 MolecularWeight: 567.522699

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CC=O)(C(C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C4=CN=CN4

Isomeric SMILES

C1CCN(CC1)C(CC=O)(C(C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C4=CN=CN4

InChI

InChI=1S/C28H27F6N3O3/c29-27(30,31)21-13-19(14-22(15-21)28(32,33)34)17-40-25(20-7-3-1-4-8-20)26(9-12-38,37-10-5-2-6-11-37)24(39)23-16-35-18-36-23/h1,3-4,7-8,12-16,18,25H,2,5-6,9-11,17H2,(H,35,36)