(3S)-4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Systemtic Name: (3S)-4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid Openeye Name: (3S)-1-tert-butoxycarbonyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid CAS Name: (3S)-4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (3S)-4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid Traditional Name: (3S)-1-tert-butoxycarbonyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-4-6-11(17)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12?,13-/m1/s1