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

Systemtic Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-3-[2-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxo-ethyl)-3-[2-(m-tolyl)ethyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-3-[2-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-3-[2-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-carbethoxy-5-(2-ethoxy-2-keto-ethyl)-3-[2-(m-tolyl)ethyl]-1H-pyrrole-2-carboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1)C(=O)O)CCC2=CC=CC(=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1)C(=O)O)CCC2=CC=CC(=C2)C)C(=O)OCC

InChI

InChI=1S/C21H25NO6/c1-4-27-17(23)12-16-18(21(26)28-5-2)15(19(22-16)20(24)25)10-9-14-8-6-7-13(3)11-14/h6-8,11,22H,4-5,9-10,12H2,1-3H3,(H,24,25)