(2S,4R)-4-[(3-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-4-[(3-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-1-tert-butoxycarbonyl-4-(m-tolylmethyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[(3-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-4-[(3-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-tert-butoxycarbonyl-4-(3-methylbenzyl)pyrrolidine-2-carboxylate Formula: C18H24NO4- MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C18H25NO4/c1-12-6-5-7-13(8-12)9-14-10-15(16(20)21)19(11-14)17(22)23-18(2,3)4/h5-8,14-15H,9-11H2,1-4H3,(H,20,21)/p-1/t14-,15+/m1/s1