3-[(2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-oxidanylidene-piperidin-1-yl]oxypropanenitrile

Systemtic Name: 3-[(2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-oxidanylidene-piperidin-1-yl]oxypropanenitrile Openeye Name: 3-[[(2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-oxo-1-piperidyl]oxy]propanenitrile CAS Name: 3-[[(2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-oxo-1-piperidinyl]oxy]propanenitrile IUPAC Name: 3-[(2S,3R,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-oxopiperidin-1-yl]oxypropanenitrile Traditional Name: 3-[(2S,3R,6R)-4-keto-2,6-bis(4-methoxyphenyl)-3-methyl-piperidino]oxypropionitrile Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(CC1=O)C2=CC=C(C=C2)OC)OCCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H]1[C@H](N([C@H](CC1=O)C2=CC=C(C=C2)OC)OCCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H26N2O4/c1-16-22(26)15-21(17-5-9-19(27-2)10-6-17)25(29-14-4-13-24)23(16)18-7-11-20(28-3)12-8-18/h5-12,16,21,23H,4,14-15H2,1-3H3/t16-,21+,23-/m0/s1