3-[(2S,4R,5R)-4,5-dimethyl-1-phenethyl-2-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]phenol

Systemtic Name: 3-[(2S,4R,5R)-4,5-dimethyl-1-phenethyl-2-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]phenol Openeye Name: 3-[(2S,4R,5R)-4,5-dimethyl-1-phenethyl-2-(2-pyrrolidin-1-ylethyl)-4-piperidyl]phenol CAS Name: 3-[(2S,4R,5R)-4,5-dimethyl-1-phenethyl-2-[2-(1-pyrrolidinyl)ethyl]-4-piperidinyl]phenol IUPAC Name: 3-[(2S,4R,5R)-4,5-dimethyl-1-phenethyl-2-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]phenol Traditional Name: 3-[(2S,4R,5R)-4,5-dimethyl-1-phenethyl-2-(2-pyrrolidinoethyl)-4-piperidyl]phenol Formula: C27H38N2O MolecularWeight: 406.60342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CC1(C)C2=CC(=CC=C2)O)CCN3CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN([C@@H](C[C@@]1(C)C2=CC(=CC=C2)O)CCN3CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H38N2O/c1-22-21-29(18-13-23-9-4-3-5-10-23)25(14-17-28-15-6-7-16-28)20-27(22,2)24-11-8-12-26(30)19-24/h3-5,8-12,19,22,25,30H,6-7,13-18,20-21H2,1-2H3/t22-,25+,27+/m0/s1