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

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

Systemtic Name:1-octyl-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid
Openeye Name:4-(4-benzyloxyphenyl)-1-octyl-pyrrole-2-carboxylic acid
CAS Name:1-octyl-4-(4-phenylmethoxyphenyl)-2-pyrrolecarboxylic acid
IUPAC Name:1-octyl-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid
Traditional Name:4-(4-benzoxyphenyl)-1-octyl-pyrrole-2-carboxylic acid
Formula: C26H31NO3
MolecularWeight: 405.52924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C=C1C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3


Isomeric SMILES

CCCCCCCCN1C=C(C=C1C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3


InChI

InChI=1S/C26H31NO3/c1-2-3-4-5-6-10-17-27-19-23(18-25(27)26(28)29)22-13-15-24(16-14-22)30-20-21-11-8-7-9-12-21/h7-9,11-16,18-19H,2-6,10,17,20H2,1H3,(H,28,29)


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