3-(4-propan-2-ylphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-(4-propan-2-ylphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-(4-isopropylphenyl)-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-(4-propan-2-ylphenyl)-3-[6-[3-(2-pyridinylamino)propoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-(4-propan-2-ylphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-p-cumenyl-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propionic acid Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-19(2)20-7-9-21(10-8-20)24(17-28(32)33)25-18-31-26-16-22(11-12-23(25)26)34-15-5-14-30-27-6-3-4-13-29-27/h3-4,6-13,16,18-19,24,31H,5,14-15,17H2,1-2H3,(H,29,30)(H,32,33)