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

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propyl-pyrrole-2-carboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propyl-pyrrole-2-carboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propyl-2-pyrrolecarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propylpyrrole-2-carboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-5-propyl-pyrrole-2-carboxylic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-2-5-17-12-13-20(22(26)27)23(17)14-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21(24)25/h3-4,6-13H,2,5,14H2,1H3,(H,24,25)(H,26,27)