(E)-3-oxidanylidene-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)hept-6-eneperoxoic acid

Systemtic Name: (E)-3-oxidanylidene-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)hept-6-eneperoxoic acid Openeye Name: (E)-7-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)-3-oxo-hept-6-eneperoxoic acid CAS Name: (E)-3-oxo-7-(1-phenyl-3-propan-2-yl-2-pyrrolo[2,1-a]isoquinolinyl)-6-hepteneperoxoic acid IUPAC Name: (E)-3-oxo-7-(1-phenyl-3-propan-2-ylpyrrolo[2,1-a]isoquinolin-2-yl)hept-6-eneperoxoic acid Traditional Name: (E)-7-(3-isopropyl-1-phenyl-pyrrol[2,1-a]isoquinolin-2-yl)-3-keto-hept-6-eneperoxoic acid Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)C=CCCC(=O)CC(=O)OO

Isomeric SMILES

CC(C)C1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)/C=C/CCC(=O)CC(=O)OO

InChI

InChI=1S/C28H27NO4/c1-19(2)27-24(15-9-7-13-22(30)18-25(31)33-32)26(21-11-4-3-5-12-21)28-23-14-8-6-10-20(23)16-17-29(27)28/h3-6,8-12,14-17,19,32H,7,13,18H2,1-2H3/b15-9+