4-(4-chloranyl-2-methyl-phenoxy)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-[(2S,6S)-2,6-dimethylpiperidino]butan-1-one Formula: C18H26ClNO2 MolecularWeight: 323.85754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

InChI

InChI=1S/C18H26ClNO2/c1-13-12-16(19)9-10-17(13)22-11-5-8-18(21)20-14(2)6-4-7-15(20)3/h9-10,12,14-15H,4-8,11H2,1-3H3/t14-,15-/m0/s1