3-(7-oxidanyl-7-oxidanylidene-heptyl)-1-(phenylmethyl)peroxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(7-oxidanyl-7-oxidanylidene-heptyl)-1-(phenylmethyl)peroxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzylperoxycarbonyl-3-(7-hydroxy-7-oxo-heptyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(7-hydroxy-7-oxoheptyl)-1-[oxo-(phenylmethyl)dioxymethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-benzylperoxycarbonyl-3-(7-hydroxy-7-oxoheptyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-benzylperoxycarbonyl-3-(7-hydroxy-7-keto-heptyl)proline Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CCCCCCC(=O)O)C(=O)O)C(=O)OOCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(C1CCCCCCC(=O)O)C(=O)O)C(=O)OOCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO7/c22-17(23)11-7-2-1-6-10-16-12-13-21(18(16)19(24)25)20(26)28-27-14-15-8-4-3-5-9-15/h3-5,8-9,16,18H,1-2,6-7,10-14H2,(H,22,23)(H,24,25)