3-[4-bromanyl-5-ethoxycarbonyl-2-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[4-bromanyl-5-ethoxycarbonyl-2-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[4-bromo-5-ethoxycarbonyl-2-(3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[4-bromo-5-ethoxycarbonyl-2-(3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[4-bromo-5-ethoxycarbonyl-2-(3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[4-bromo-5-carbethoxy-2-(2-carbethoxy-3-ethoxy-3-keto-propyl)-1H-pyrrol-3-yl]propionic acid Formula: C18H24BrNO8 MolecularWeight: 462.28906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CC(C(=O)OCC)C(=O)OCC)CCC(=O)O)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CC(C(=O)OCC)C(=O)OCC)CCC(=O)O)Br

InChI

InChI=1S/C18H24BrNO8/c1-4-26-16(23)11(17(24)27-5-2)9-12-10(7-8-13(21)22)14(19)15(20-12)18(25)28-6-3/h11,20H,4-9H2,1-3H3,(H,21,22)