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

Systemtic Name: tert-butyl (3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate CAS Name: (3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate Traditional Name: (3R,4S)-3-(4-chlorophenyl)-4-methylol-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO3/c1-16(2,3)21-15(20)18-8-12(10-19)14(9-18)11-4-6-13(17)7-5-11/h4-7,12,14,19H,8-10H2,1-3H3/t12-,14-/m0/s1