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

Systemtic Name: (E)-7-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: (E)-3,5-dihydroxy-7-(2-methyl-1-oxo-4-phenyl-3-isoquinolyl)hept-6-enoate CAS Name: (E)-3,5-dihydroxy-7-(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-6-heptenoate IUPAC Name: (E)-3,5-dihydroxy-7-(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)hept-6-enoate Traditional Name: (E)-3,5-dihydroxy-7-(1-keto-2-methyl-4-phenyl-3-isoquinolyl)hept-6-enoate Formula: C23H22NO5- MolecularWeight: 392.42448

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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)/p-1/b12-11+