(phenylmethyl) (2S)-1-[4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-(4-hydroxyphenyl)-1-oxobutyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCCC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c24-19-13-11-17(12-14-19)8-4-10-21(25)23-15-5-9-20(23)22(26)27-16-18-6-2-1-3-7-18/h1-3,6-7,11-14,20,24H,4-5,8-10,15-16H2/t20-/m0/s1