2-[[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]methyl]octanoic acid

Systemtic Name: 2-[[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]methyl]octanoic acid Openeye Name: 2-[[5-[3-(2-pyridylamino)propoxy]indol-1-yl]methyl]octanoic acid CAS Name: 2-[[5-[3-(2-pyridinylamino)propoxy]-1-indolyl]methyl]octanoic acid IUPAC Name: 2-[[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]methyl]octanoic acid Traditional Name: 2-[[5-[3-(2-pyridylamino)propoxy]indol-1-yl]methyl]caprylic acid Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C=CC2=C1C=CC(=C2)OCCCNC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CCCCCCC(CN1C=CC2=C1C=CC(=C2)OCCCNC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C25H33N3O3/c1-2-3-4-5-9-21(25(29)30)19-28-16-13-20-18-22(11-12-23(20)28)31-17-8-15-27-24-10-6-7-14-26-24/h6-7,10-14,16,18,21H,2-5,8-9,15,17,19H2,1H3,(H,26,27)(H,29,30)