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

Systemtic Name: 2-(carboxymethyl)-2-ethyl-5-(4-methoxyphenyl)carbonyl-4-methyl-pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-2-ethyl-5-(4-methoxybenzoyl)-4-methyl-pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-2-ethyl-5-[(4-methoxyphenyl)-oxomethyl]-4-methyl-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-2-ethyl-5-(4-methoxybenzoyl)-4-methylpyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-2-ethyl-4-methyl-5-p-anisoyl-pyrrole-3-carboxylic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-4-18(9-13(20)21)14(17(23)24)10(2)15(19-18)16(22)11-5-7-12(25-3)8-6-11/h5-8H,4,9H2,1-3H3,(H,20,21)(H,23,24)