tert-butyl (2R,3R)-2-[(4-methoxycarbonylphenoxy)methyl]-3-phenylmethoxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3R)-2-[(4-methoxycarbonylphenoxy)methyl]-3-phenylmethoxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3R)-3-benzyloxy-2-[(4-methoxycarbonylphenoxy)methyl]pyrrolidine-1-carboxylate CAS Name: (2R,3R)-2-[(4-methoxycarbonylphenoxy)methyl]-3-phenylmethoxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2-[(4-methoxycarbonylphenoxy)methyl]-3-phenylmethoxypyrrolidine-1-carboxylate Traditional Name: (2R,3R)-3-benzoxy-2-[(4-carbomethoxyphenoxy)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1COC2=CC=C(C=C2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]([C@H]1COC2=CC=C(C=C2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO6/c1-25(2,3)32-24(28)26-15-14-22(31-16-18-8-6-5-7-9-18)21(26)17-30-20-12-10-19(11-13-20)23(27)29-4/h5-13,21-22H,14-17H2,1-4H3/t21-,22-/m1/s1