1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-(hydroxymethyl)-5-propyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-(hydroxymethyl)-5-propyl-pyrrole-3-carboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-(hydroxymethyl)-5-propyl-pyrrole-3-carboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-(hydroxymethyl)-5-propyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-(hydroxymethyl)-5-propylpyrrole-3-carboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-2-methylol-5-propyl-pyrrole-3-carboxylic acid Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)C(=O)O

Isomeric SMILES

CCCC1=CC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)C(=O)O

InChI

InChI=1S/C23H23NO5/c1-2-5-17-12-20(23(28)29)21(14-25)24(17)13-15-8-10-16(11-9-15)18-6-3-4-7-19(18)22(26)27/h3-4,6-12,25H,2,5,13-14H2,1H3,(H,26,27)(H,28,29)