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

Systemtic Name: 1-hexyl-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid Openeye Name: 4-(4-benzyloxyphenyl)-1-hexyl-pyrrole-2-carboxylic acid CAS Name: 1-hexyl-4-(4-phenylmethoxyphenyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-hexyl-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid Traditional Name: 4-(4-benzoxyphenyl)-1-hexyl-pyrrole-2-carboxylic acid Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C=C1C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCN1C=C(C=C1C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27NO3/c1-2-3-4-8-15-25-17-21(16-23(25)24(26)27)20-11-13-22(14-12-20)28-18-19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15,18H2,1H3,(H,26,27)