1-[4-oxidanyl-4-oxidanylidene-3-(phenylmethyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-oxidanyl-4-oxidanylidene-3-(phenylmethyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzyl-4-hydroxy-4-oxo-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-hydroxy-1,4-dioxo-3-(phenylmethyl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzyl-4-hydroxy-4-oxobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-benzyl-4-hydroxy-4-keto-butanoyl)proline Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H19NO5/c18-14(17-8-4-7-13(17)16(21)22)10-12(15(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,19,20)(H,21,22)