(2S)-1-[2-(4-chlorophenyl)ethanoyl]-N-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[2-(4-chlorophenyl)ethanoyl]-N-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[2-(4-chlorophenyl)acetyl]-N-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[2-(4-chlorophenyl)-1-oxoethyl]-N-[cyano-(3,4-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[2-(4-chlorophenyl)acetyl]-N-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[2-(4-chlorophenyl)acetyl]-N-[cyano-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC(=O)C2CCCN2C(=O)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)NC(=O)[C@@H]2CCCN2C(=O)CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C23H24ClN3O4/c1-30-20-10-7-16(13-21(20)31-2)18(14-25)26-23(29)19-4-3-11-27(19)22(28)12-15-5-8-17(24)9-6-15/h5-10,13,18-19H,3-4,11-12H2,1-2H3,(H,26,29)/t18?,19-/m0/s1