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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

InChI

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