(3S,4R)-4-(3,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Systemtic Name: (3S,4R)-4-(3,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid Openeye Name: (3S,4R)-1-tert-butoxycarbonyl-4-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (3S,4R)-4-(3,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4R)-4-(3,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid Traditional Name: (3S,4R)-1-tert-butoxycarbonyl-4-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-12(13(10-19)16(20)21)11-6-7-14(23-4)15(8-11)24-5/h6-8,12-13H,9-10H2,1-5H3,(H,20,21)/t12-,13+/m0/s1