2-[4-[5-methyl-1-[4-(6-phenylhexoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[5-methyl-1-[4-(6-phenylhexoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[5-methyl-1-[4-(6-phenylhexoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[5-methyl-1-[4-(6-phenylhexoxy)phenyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[5-methyl-1-[4-(6-phenylhexoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[5-methyl-1-[4-(6-phenylhexoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C38H39NO4 MolecularWeight: 573.72056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)OCCCCCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)OCCCCCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C38H39NO4/c1-29-17-26-36(32-18-22-35(23-19-32)43-37(38(40)41)28-31-15-9-5-10-16-31)39(29)33-20-24-34(25-21-33)42-27-11-3-2-6-12-30-13-7-4-8-14-30/h4-5,7-10,13-26,37H,2-3,6,11-12,27-28H2,1H3,(H,40,41)