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

Systemtic Name: 2-[4-[1-[3-(4-butylphenyl)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-[3-(4-butylphenyl)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-[3-(4-butylphenyl)propyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-[3-(4-butylphenyl)propyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-[3-(4-butylphenyl)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C33H37NO3 MolecularWeight: 495.65178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C33H37NO3/c1-3-4-9-26-14-16-27(17-15-26)12-8-23-34-25(2)13-22-31(34)29-18-20-30(21-19-29)37-32(33(35)36)24-28-10-6-5-7-11-28/h5-7,10-11,13-22,32H,3-4,8-9,12,23-24H2,1-2H3,(H,35,36)