O4-tert-butyl O2-methyl (2S,4R,5R)-5-(4-cyanophenyl)pyrrolidine-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-methyl (2S,4R,5R)-5-(4-cyanophenyl)pyrrolidine-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-methyl (2S,4R,5R)-5-(4-cyanophenyl)pyrrolidine-2,4-dicarboxylate CAS Name: (2S,4R,5R)-5-(4-cyanophenyl)pyrrolidine-2,4-dicarboxylic acid O4-tert-butyl ester O2-methyl ester IUPAC Name: 4-O-tert-butyl 2-O-methyl (2S,4R,5R)-5-(4-cyanophenyl)pyrrolidine-2,4-dicarboxylate Traditional Name: (2S,4R,5R)-5-(4-cyanophenyl)pyrrolidine-2,4-dicarboxylic acid O4-tert-butyl ester O2-methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(NC1C2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]1C2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C18H22N2O4/c1-18(2,3)24-16(21)13-9-14(17(22)23-4)20-15(13)12-7-5-11(10-19)6-8-12/h5-8,13-15,20H,9H2,1-4H3/t13-,14+,15+/m1/s1