(2S,4S)-4-(2-methoxy-4-propyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S,4S)-4-(2-methoxy-4-propyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-1-tert-butoxycarbonyl-4-(2-methoxy-4-propyl-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(2-methoxy-4-propylphenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-4-(2-methoxy-4-propylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-tert-butoxycarbonyl-4-(2-methoxy-4-propyl-phenoxy)pyrrolidine-2-carboxylate Formula: C20H28NO6- MolecularWeight: 378.43942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)[O-])OC

Isomeric SMILES

CCCC1=CC(=C(C=C1)O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)[O-])OC

InChI

InChI=1S/C20H29NO6/c1-6-7-13-8-9-16(17(10-13)25-5)26-14-11-15(18(22)23)21(12-14)19(24)27-20(2,3)4/h8-10,14-15H,6-7,11-12H2,1-5H3,(H,22,23)/p-1/t14-,15-/m0/s1