5-[2-(3-carboxyphenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[2-(3-carboxyphenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(3-carboxyphenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[2-(3-carboxyphenoxy)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[2-(3-carboxyphenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[2-(3-carboxyphenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C(=O)COC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C(=O)COC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H15NO6/c1-8-13(16(21)22)9(2)17-14(8)12(18)7-23-11-5-3-4-10(6-11)15(19)20/h3-6,17H,7H2,1-2H3,(H,19,20)(H,21,22)