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

Systemtic Name: 2-[3-carboxy-2-ethyl-4-methyl-5-(phenylcarbonyl)pyrrol-2-yl]ethanoate Openeye Name: 2-(5-benzoyl-3-carboxy-2-ethyl-4-methyl-pyrrol-2-yl)acetate CAS Name: 2-(5-benzoyl-3-carboxy-2-ethyl-4-methyl-2-pyrrolyl)acetate IUPAC Name: 2-(5-benzoyl-3-carboxy-2-ethyl-4-methylpyrrol-2-yl)acetate Traditional Name: 2-(5-benzoyl-3-carboxy-2-ethyl-4-methyl-pyrrol-2-yl)acetate Formula: C17H16NO5- MolecularWeight: 314.31264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-3-17(9-12(19)20)13(16(22)23)10(2)14(18-17)15(21)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,19,20)(H,22,23)/p-1