3-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]propanoic acid

Systemtic Name: 3-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]propanoic acid Openeye Name: 3-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]propanoic acid CAS Name: 3-[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]propanoic acid IUPAC Name: 3-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]propanoic acid Traditional Name: 3-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]propionic acid Formula: C24H24N2O4 MolecularWeight: 404.45836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CCC(=O)O)OC(CN3C=CN=C3)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CCC(=O)O)OC(CN3C=CN=C3)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C24H24N2O4/c27-21-8-4-7-18-19(21)9-11-22(20(18)10-12-24(28)29)30-23(15-26-14-13-25-16-26)17-5-2-1-3-6-17/h1-3,5-6,9,11,13-14,16,23H,4,7-8,10,12,15H2,(H,28,29)