(2S)-1-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]-3-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-keto-2-(3,4,5-trimethoxyphenyl)ethyl]-3-phenyl-proline Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCC(C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCC([C@H]2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO6/c1-27-18-11-15(12-19(28-2)21(18)29-3)17(24)13-23-10-9-16(20(23)22(25)26)14-7-5-4-6-8-14/h4-8,11-12,16,20H,9-10,13H2,1-3H3,(H,25,26)/t16?,20-/m0/s1