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

Systemtic Name: (E)-3-oxidanyl-5-oxidanylidene-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)hept-6-enoic acid Openeye Name: (E)-3-hydroxy-7-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)-5-oxo-hept-6-enoic acid CAS Name: (E)-3-hydroxy-5-oxo-7-(1-phenyl-3-propan-2-yl-2-pyrrolo[2,1-a]isoquinolinyl)-6-heptenoic acid IUPAC Name: (E)-3-hydroxy-5-oxo-7-(1-phenyl-3-propan-2-ylpyrrolo[2,1-a]isoquinolin-2-yl)hept-6-enoic acid Traditional Name: (E)-3-hydroxy-7-(3-isopropyl-1-phenyl-pyrrol[2,1-a]isoquinolin-2-yl)-5-keto-hept-6-enoic 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=CC(=O)CC(CC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO4/c1-18(2)27-24(13-12-21(30)16-22(31)17-25(32)33)26(20-9-4-3-5-10-20)28-23-11-7-6-8-19(23)14-15-29(27)28/h3-15,18,22,31H,16-17H2,1-2H3,(H,32,33)/b13-12+