2,5-dimethoxy-1-(6-oxidanylidenehexanoyl)-3-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2,5-dimethoxy-1-(6-oxidanylidenehexanoyl)-3-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]pyrrolidine-2-carboxylic acid Openeye Name: 3-[2-(benzyloxymethyl)pyrrolidin-1-yl]-2,5-dimethoxy-1-(6-oxohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(1,6-dioxohexyl)-2,5-dimethoxy-3-[2-(phenylmethoxymethyl)-1-pyrrolidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2,5-dimethoxy-1-(6-oxohexanoyl)-3-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]pyrrolidine-2-carboxylic acid Traditional Name: 3-[2-(benzoxymethyl)pyrrolidino]-1-(6-ketohexanoyl)-2,5-dimethoxy-proline Formula: C25H36N2O7 MolecularWeight: 476.56254

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(N1C(=O)CCCCC=O)(C(=O)O)OC)N2CCCC2COCC3=CC=CC=C3

Isomeric SMILES

COC1CC(C(N1C(=O)CCCCC=O)(C(=O)O)OC)N2CCCC2COCC3=CC=CC=C3

InChI

InChI=1S/C25H36N2O7/c1-32-23-16-21(25(33-2,24(30)31)27(23)22(29)13-7-4-8-15-28)26-14-9-12-20(26)18-34-17-19-10-5-3-6-11-19/h3,5-6,10-11,15,20-21,23H,4,7-9,12-14,16-18H2,1-2H3,(H,30,31)