(E)-7-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E)-7-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E)-3,5-dihydroxy-7-(2-methyl-1-oxo-4-phenyl-3-isoquinolyl)hept-6-enoic acid CAS Name: (E)-3,5-dihydroxy-7-(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-6-heptenoic acid IUPAC Name: (E)-3,5-dihydroxy-7-(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)hept-6-enoic acid Traditional Name: (E)-3,5-dihydroxy-7-(1-keto-2-methyl-4-phenyl-3-isoquinolyl)hept-6-enoic acid Formula: C23H23NO5 MolecularWeight: 393.43242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C=CC(CC(CC(=O)O)O)O

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)/C=C/C(CC(CC(=O)O)O)O

InChI

InChI=1S/C23H23NO5/c1-24-20(12-11-16(25)13-17(26)14-21(27)28)22(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23(24)29/h2-12,16-17,25-26H,13-14H2,1H3,(H,27,28)/b12-11+