1-pentyl-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-pentyl-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid Openeye Name: 4-(4-benzyloxyphenyl)-1-pentyl-pyrrole-2-carboxylic acid CAS Name: 1-pentyl-4-(4-phenylmethoxyphenyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-pentyl-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid Traditional Name: 1-amyl-4-(4-benzoxyphenyl)pyrrole-2-carboxylic acid Formula: C23H25NO3 MolecularWeight: 363.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C=C1C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C=C(C=C1C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25NO3/c1-2-3-7-14-24-16-20(15-22(24)23(25)26)19-10-12-21(13-11-19)27-17-18-8-5-4-6-9-18/h4-6,8-13,15-16H,2-3,7,14,17H2,1H3,(H,25,26)