3-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxycarbonyl-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentanoic acid

Systemtic Name: 3-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxycarbonyl-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: 5-benzyloxy-3-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxycarbonyl-3-hydroxy-5-oxo-pentanoic acid CAS Name: 3-[[1-[2-(dimethylamino)propyl]-2-pyrrolyl]oxy-oxomethyl]-3-hydroxy-5-oxo-5-phenylmethoxypentanoic acid IUPAC Name: 3-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxycarbonyl-3-hydroxy-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: 5-benzoxy-3-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]oxycarbonyl-3-hydroxy-5-keto-valeric acid Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=C1OC(=O)C(CC(=O)O)(CC(=O)OCC2=CC=CC=C2)O)N(C)C

Isomeric SMILES

CC(CN1C=CC=C1OC(=O)C(CC(=O)O)(CC(=O)OCC2=CC=CC=C2)O)N(C)C

InChI

InChI=1S/C22H28N2O7/c1-16(23(2)3)14-24-11-7-10-18(24)31-21(28)22(29,12-19(25)26)13-20(27)30-15-17-8-5-4-6-9-17/h4-11,16,29H,12-15H2,1-3H3,(H,25,26)