tert-butyl [(3S,4R)-1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] carbonate

Systemtic Name: tert-butyl [(3S,4R)-1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] carbonate Openeye Name: tert-butyl [(3S,4R)-4-(3-isopropoxyphenyl)-1,3-dimethyl-4-piperidyl] carbonate CAS Name: carbonic acid tert-butyl [(3S,4R)-1,3-dimethyl-4-(3-propan-2-yloxyphenyl)-4-piperidinyl] ester IUPAC Name: tert-butyl [(3S,4R)-1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] carbonate Traditional Name: carbonic acid tert-butyl [(3S,4R)-4-(3-isopropoxyphenyl)-1,3-dimethyl-4-piperidyl] ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C2=CC(=CC=C2)OC(C)C)OC(=O)OC(C)(C)C)C

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C2=CC(=CC=C2)OC(C)C)OC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H33NO4/c1-15(2)24-18-10-8-9-17(13-18)21(11-12-22(7)14-16(21)3)26-19(23)25-20(4,5)6/h8-10,13,15-16H,11-12,14H2,1-7H3/t16-,21+/m0/s1