2-[3-ethoxycarbonyl-2-ethyl-4-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-2-ethyl-4-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-ethoxycarbonyl-2-ethyl-4-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3-ethoxycarbonyl-2-ethyl-4-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-ethoxycarbonyl-2-ethyl-4-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-(3-carbethoxy-2-ethyl-4-methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(C(=N1)C(=O)C2=CC=C(C=C2)C)C)C(=O)OCC)CC(=O)O

Isomeric SMILES

CCC1(C(=C(C(=N1)C(=O)C2=CC=C(C=C2)C)C)C(=O)OCC)CC(=O)O

InChI

InChI=1S/C20H23NO5/c1-5-20(11-15(22)23)16(19(25)26-6-2)13(4)17(21-20)18(24)14-9-7-12(3)8-10-14/h7-10H,5-6,11H2,1-4H3,(H,22,23)