2-(carboxymethyl)-5-(4-chlorophenyl)carbonyl-4-ethyl-1-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-5-(4-chlorophenyl)carbonyl-4-ethyl-1-methyl-pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-5-(4-chlorobenzoyl)-4-ethyl-1-methyl-pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-5-[(4-chlorophenyl)-oxomethyl]-4-ethyl-1-methyl-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-5-(4-chlorobenzoyl)-4-ethyl-1-methylpyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-5-(4-chlorobenzoyl)-4-ethyl-1-methyl-pyrrole-3-carboxylic acid Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C(=O)O)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(N(C(=C1C(=O)O)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H16ClNO5/c1-3-11-14(17(23)24)12(8-13(20)21)19(2)15(11)16(22)9-4-6-10(18)7-5-9/h4-7H,3,8H2,1-2H3,(H,20,21)(H,23,24)