3-[(3R,4S)-3,4-dimethyl-1-[3-(oxan-2-yloxy)propyl]piperidin-2-yl]phenol

Systemtic Name: 3-[(3R,4S)-3,4-dimethyl-1-[3-(oxan-2-yloxy)propyl]piperidin-2-yl]phenol Openeye Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-tetrahydropyran-2-yloxypropyl)-2-piperidyl]phenol CAS Name: 3-[(3R,4S)-3,4-dimethyl-1-[3-(2-oxanyloxy)propyl]-2-piperidinyl]phenol IUPAC Name: 3-[(3R,4S)-3,4-dimethyl-1-[3-(oxan-2-yloxy)propyl]piperidin-2-yl]phenol Traditional Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-tetrahydropyran-2-yloxypropyl)-2-piperidyl]phenol Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1C)C2=CC(=CC=C2)O)CCCOC3CCCCO3

Isomeric SMILES

C[C@H]1CCN(C([C@@H]1C)C2=CC(=CC=C2)O)CCCOC3CCCCO3

InChI

InChI=1S/C21H33NO3/c1-16-10-12-22(11-6-14-25-20-9-3-4-13-24-20)21(17(16)2)18-7-5-8-19(23)15-18/h5,7-8,15-17,20-21,23H,3-4,6,9-14H2,1-2H3/t16-,17+,20?,21?/m0/s1