3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxo-ethyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-carbethoxy-3-[2-(3-chlorophenyl)ethyl]-5-(2-ethoxy-2-keto-ethyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1C)C(=O)O)CCC2=CC(=CC=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1C)C(=O)O)CCC2=CC(=CC=C2)Cl)C(=O)OCC

InChI

InChI=1S/C21H24ClNO6/c1-4-28-17(24)12-16-18(21(27)29-5-2)15(19(20(25)26)23(16)3)10-9-13-7-6-8-14(22)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,25,26)