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

Systemtic Name: 2-[[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]methyl]pentanoic acid Openeye Name: 2-[[5-[3-(2-pyridylamino)propoxy]-1H-indol-2-yl]methyl]pentanoic acid CAS Name: 2-[[5-[3-(2-pyridinylamino)propoxy]-1H-indol-2-yl]methyl]pentanoic acid IUPAC Name: 2-[[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]methyl]pentanoic acid Traditional Name: 2-[[5-[3-(2-pyridylamino)propoxy]-1H-indol-2-yl]methyl]valeric acid Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC2=C(N1)C=CC(=C2)OCCCNC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CCCC(CC1=CC2=C(N1)C=CC(=C2)OCCCNC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C22H27N3O3/c1-2-6-16(22(26)27)13-18-14-17-15-19(8-9-20(17)25-18)28-12-5-11-24-21-7-3-4-10-23-21/h3-4,7-10,14-16,25H,2,5-6,11-13H2,1H3,(H,23,24)(H,26,27)