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

Systemtic Name: 2-[4-[1-[3-(4-hexylphenoxy)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-[3-(4-hexylphenoxy)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-[3-(4-hexylphenoxy)propyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-[3-(4-hexylphenoxy)propyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-[3-(4-hexylphenoxy)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C35H41NO4 MolecularWeight: 539.70434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C35H41NO4/c1-3-4-5-7-11-28-15-19-31(20-16-28)39-25-10-24-36-27(2)14-23-33(36)30-17-21-32(22-18-30)40-34(35(37)38)26-29-12-8-6-9-13-29/h6,8-9,12-23,34H,3-5,7,10-11,24-26H2,1-2H3,(H,37,38)