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

Systemtic Name: 3-[5-[2-[6-(methylamino)pyridin-2-yl]ethoxy]indol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[2-[6-(methylamino)-2-pyridyl]ethoxy]indol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-indolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[2-[6-(methylamino)pyridin-2-yl]ethoxy]indol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[2-[6-(methylamino)-2-pyridyl]ethoxy]indol-1-yl]-3-phenyl-propionic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c1-26-24-9-5-8-20(27-24)13-15-31-21-10-11-22-19(16-21)12-14-28(22)23(17-25(29)30)18-6-3-2-4-7-18/h2-12,14,16,23H,13,15,17H2,1H3,(H,26,27)(H,29,30)