(4-cyanophenyl)methyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-5-keto-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (4-cyanobenzyl) ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CC1=O)C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H26N2O4/c1-3-4-13-26-22(27)14-21(23(26)19-9-11-20(29-2)12-10-19)24(28)30-16-18-7-5-17(15-25)6-8-18/h5-12,21,23H,3-4,13-14,16H2,1-2H3/t21-,23-/m0/s1