tert-butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate CAS Name: (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate Traditional Name: (3R,4S)-3-(4-methoxyphenyl)-4-methylol-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C2=CC=C(C=C2)OC)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C2=CC=C(C=C2)OC)CO

InChI

InChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-9-13(11-19)15(10-18)12-5-7-14(21-4)8-6-12/h5-8,13,15,19H,9-11H2,1-4H3/t13-,15-/m0/s1