2-[3-carboxy-2-ethyl-4-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: 2-[3-carboxy-2-ethyl-4-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: 2-[3-carboxy-2-ethyl-4-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate CAS Name: 2-[3-carboxy-2-ethyl-4-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetate IUPAC Name: 2-[3-carboxy-2-ethyl-4-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate Traditional Name: 2-(3-carboxy-2-ethyl-4-methyl-5-p-toluoyl-pyrrol-2-yl)acetate Formula: C18H18NO5- MolecularWeight: 328.33922

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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)O)CC(=O)[O-]

Isomeric SMILES

CCC1(C(=C(C(=N1)C(=O)C2=CC=C(C=C2)C)C)C(=O)O)CC(=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-4-18(9-13(20)21)14(17(23)24)11(3)15(19-18)16(22)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,20,21)(H,23,24)/p-1