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

Systemtic Name: 3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]benzothiophen-3-yl]-3-(3-quinolyl)propanoic acid CAS Name: 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzothiophen-3-yl]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]benzothiophen-3-yl]-3-(3-quinolyl)propionic acid Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CS3)C(CC(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CS3)C(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H25N3O3S/c1-29-27-8-4-6-20(31-27)11-12-34-21-9-10-22-24(17-35-26(22)14-21)23(15-28(32)33)19-13-18-5-2-3-7-25(18)30-16-19/h2-10,13-14,16-17,23H,11-12,15H2,1H3,(H,29,31)(H,32,33)