(2S,4S)-4-(2-chloranyl-5-methyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S,4S)-4-(2-chloranyl-5-methyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-1-tert-butoxycarbonyl-4-(2-chloro-5-methyl-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(2-chloro-5-methylphenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-4-(2-chloro-5-methylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-tert-butoxycarbonyl-4-(2-chloro-5-methyl-phenoxy)pyrrolidine-2-carboxylate Formula: C17H21ClNO5- MolecularWeight: 354.80534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO5/c1-10-5-6-12(18)14(7-10)23-11-8-13(15(20)21)19(9-11)16(22)24-17(2,3)4/h5-7,11,13H,8-9H2,1-4H3,(H,20,21)/p-1/t11-,13-/m0/s1