3-[[4-chloranyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[4-chloranyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-chloro-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]methyl]-4-methoxy-benzaldehyde CAS Name: 3-[[4-chloro-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-chloro-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde Traditional Name: 3-[[4-chloro-4-[3-(trifluoromethyl)phenyl]piperidino]methyl]-4-methoxy-benzaldehyde Formula: C21H21ClF3NO2 MolecularWeight: 411.84515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CN2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CN2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H21ClF3NO2/c1-28-19-6-5-15(14-27)11-16(19)13-26-9-7-20(22,8-10-26)17-3-2-4-18(12-17)21(23,24)25/h2-6,11-12,14H,7-10,13H2,1H3