3-(2-methylphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-(2-methylphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-(o-tolyl)-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-(2-methylphenyl)-3-[6-[3-(2-pyridinylamino)propoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-(2-methylphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-(o-tolyl)-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propionic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

InChI

InChI=1S/C26H27N3O3/c1-18-7-2-3-8-20(18)22(16-26(30)31)23-17-29-24-15-19(10-11-21(23)24)32-14-6-13-28-25-9-4-5-12-27-25/h2-5,7-12,15,17,22,29H,6,13-14,16H2,1H3,(H,27,28)(H,30,31)