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

Systemtic Name: 2-[4-[1-[1-(4-hexylphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-[1-(4-hexylphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-[1-(4-hexylphenyl)ethyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-[1-(4-hexylphenyl)ethyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-[1-(4-hexylphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C34H39NO3 MolecularWeight: 509.67836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(C)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(C)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C34H39NO3/c1-4-5-6-8-11-27-15-17-29(18-16-27)26(3)35-25(2)14-23-32(35)30-19-21-31(22-20-30)38-33(34(36)37)24-28-12-9-7-10-13-28/h7,9-10,12-23,26,33H,4-6,8,11,24H2,1-3H3,(H,36,37)