(2S)-2-[(3-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-2-[(3-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-tert-butoxycarbonyl-2-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-2-[(3-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-2-[(3-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-tert-butoxycarbonyl-2-(3-cyanobenzyl)pyrrolidine-2-carboxylate Formula: C18H21N2O4- MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-17(2,3)24-16(23)20-9-5-8-18(20,15(21)22)11-13-6-4-7-14(10-13)12-19/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,21,22)/p-1/t18-/m0/s1