2-[4-(5-methyl-1-octyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(5-methyl-1-octyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(5-methyl-1-octyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-(5-methyl-1-octyl-2-pyrrolyl)phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(5-methyl-1-octylpyrrol-2-yl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(5-methyl-1-octyl-pyrrol-2-yl)phenoxy]-3-phenyl-propionic acid Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C28H35NO3/c1-3-4-5-6-7-11-20-29-22(2)14-19-26(29)24-15-17-25(18-16-24)32-27(28(30)31)21-23-12-9-8-10-13-23/h8-10,12-19,27H,3-7,11,20-21H2,1-2H3,(H,30,31)