tert-butyl 3-(3-oxidanylpropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-oxidanylpropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(benzyloxycarbonylamino)-3-(3-hydroxypropyl)pyrrolidine-1-carboxylate CAS Name: 3-(3-hydroxypropyl)-3-(phenylmethoxycarbonylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-hydroxypropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Traditional Name: 3-(benzyloxycarbonylamino)-3-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)(CCCO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)(CCCO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O5/c1-19(2,3)27-18(25)22-12-11-20(15-22,10-7-13-23)21-17(24)26-14-16-8-5-4-6-9-16/h4-6,8-9,23H,7,10-15H2,1-3H3,(H,21,24)