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

Systemtic Name: 3-(7-oxidanyl-7-oxidanylidene-heptyl)-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-3-(7-hydroxy-7-oxo-heptyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(7-hydroxy-7-oxoheptyl)-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(7-hydroxy-7-oxoheptyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-3-(7-hydroxy-7-keto-heptyl)proline Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CCCCCCC(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(C1CCCCCCC(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO6/c22-17(23)11-7-2-1-6-10-16-12-13-21(18(16)19(24)25)20(26)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)