3-phenyl-3-[5-[3-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-phenyl-3-[5-[3-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-phenyl-3-[5-[3-(2-pyridylamino)butoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-phenyl-3-[5-[3-(2-pyridinylamino)butoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-phenyl-3-[5-[3-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-phenyl-3-[5-[3-(2-pyridylamino)butoxy]-1H-indol-3-yl]propionic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC2=C(C=C1)NC=C2C(CC(=O)O)C3=CC=CC=C3)NC4=CC=CC=N4

Isomeric SMILES

CC(CCOC1=CC2=C(C=C1)NC=C2C(CC(=O)O)C3=CC=CC=C3)NC4=CC=CC=N4

InChI

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