1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-benzyloxybutoxy)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(4-phenylmethoxybutoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-benzoxybutoxy)-1-tert-butoxycarbonyl-proline Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OCCCCOCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OCCCCOCC2=CC=CC=C2

InChI

InChI=1S/C21H31NO6/c1-21(2,3)28-20(25)22-14-17(13-18(22)19(23)24)27-12-8-7-11-26-15-16-9-5-4-6-10-16/h4-6,9-10,17-18H,7-8,11-15H2,1-3H3,(H,23,24)