(E)-7-(3-methyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: (E)-7-(3-methyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: (E)-5-hydroxy-7-(3-methyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)-3-oxo-hept-6-enoate CAS Name: (E)-5-hydroxy-7-(3-methyl-1-phenyl-2-pyrrolo[2,1-a]isoquinolinyl)-3-oxo-6-heptenoate IUPAC Name: (E)-5-hydroxy-7-(3-methyl-1-phenylpyrrolo[2,1-a]isoquinolin-2-yl)-3-oxohept-6-enoate Traditional Name: (E)-5-hydroxy-3-keto-7-(3-methyl-1-phenyl-pyrrol[2,1-a]isoquinolin-2-yl)hept-6-enoate Formula: C26H22NO4- MolecularWeight: 412.45718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)C=CC(CC(=O)CC(=O)[O-])O

Isomeric SMILES

CC1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)/C=C/C(CC(=O)CC(=O)[O-])O

InChI

InChI=1S/C26H23NO4/c1-17-22(12-11-20(28)15-21(29)16-24(30)31)25(19-8-3-2-4-9-19)26-23-10-6-5-7-18(23)13-14-27(17)26/h2-14,20,28H,15-16H2,1H3,(H,30,31)/p-1/b12-11+