4-(7-oxidanyl-7-oxidanylidene-heptyl)-1-phenylmethoxycarbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(7-oxidanyl-7-oxidanylidene-heptyl)-1-phenylmethoxycarbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(7-hydroxy-7-oxo-heptyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(7-hydroxy-7-oxoheptyl)-1-phenylmethoxycarbonyl-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(7-hydroxy-7-oxoheptyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(7-hydroxy-7-keto-heptyl)pyrrolidine-3-carboxylic acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CCCCCCC(=O)O

Isomeric SMILES

C1C(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CCCCCCC(=O)O

InChI

InChI=1S/C20H27NO6/c22-18(23)11-7-2-1-6-10-16-12-21(13-17(16)19(24)25)20(26)27-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,22,23)(H,24,25)