2-[4-[3-pentyl-2-phenyl-1-(phenylmethyl)indol-5-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-pentyl-2-phenyl-1-(phenylmethyl)indol-5-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(1-benzyl-3-pentyl-2-phenyl-indol-5-yl)phenoxy]acetic acid CAS Name: 2-[4-[3-pentyl-2-phenyl-1-(phenylmethyl)-5-indolyl]phenoxy]acetic acid IUPAC Name: 2-[4-(1-benzyl-3-pentyl-2-phenylindol-5-yl)phenoxy]acetic acid Traditional Name: 2-[4-(3-amyl-1-benzyl-2-phenyl-indol-5-yl)phenoxy]acetic acid Formula: C34H33NO3 MolecularWeight: 503.63072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=C1C=C(C=C2)C3=CC=C(C=C3)OCC(=O)O)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=C(N(C2=C1C=C(C=C2)C3=CC=C(C=C3)OCC(=O)O)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H33NO3/c1-2-3-6-15-30-31-22-28(26-16-19-29(20-17-26)38-24-33(36)37)18-21-32(31)35(23-25-11-7-4-8-12-25)34(30)27-13-9-5-10-14-27/h4-5,7-14,16-22H,2-3,6,15,23-24H2,1H3,(H,36,37)