3-[5-[2-[6-(methylamino)pyridin-2-yl]ethoxy]indol-1-yl]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[5-[2-[6-(methylamino)pyridin-2-yl]ethoxy]indol-1-yl]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[5-[2-[6-(methylamino)-2-pyridyl]ethoxy]indol-1-yl]-3-(3-quinolyl)propanoic acid CAS Name: 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-indolyl]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[5-[2-[6-(methylamino)pyridin-2-yl]ethoxy]indol-1-yl]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[5-[2-[6-(methylamino)-2-pyridyl]ethoxy]indol-1-yl]-3-(3-quinolyl)propionic acid Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)N(C=C3)C(CC(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)N(C=C3)C(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H26N4O3/c1-29-27-8-4-6-22(31-27)12-14-35-23-9-10-25-20(16-23)11-13-32(25)26(17-28(33)34)21-15-19-5-2-3-7-24(19)30-18-21/h2-11,13,15-16,18,26H,12,14,17H2,1H3,(H,29,31)(H,33,34)