(2S)-2-[(4-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-2-[(4-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-tert-butoxycarbonyl-2-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-2-[(4-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-2-[(4-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-tert-butoxycarbonyl-2-(4-cyanobenzyl)pyrrolidine-2-carboxylate Formula: C18H21N2O4- MolecularWeight: 329.37034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1(CC2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-17(2,3)24-16(23)20-10-4-9-18(20,15(21)22)11-13-5-7-14(12-19)8-6-13/h5-8H,4,9-11H2,1-3H3,(H,21,22)/p-1/t18-/m0/s1