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

Systemtic Name: (E)-5-oxidanyl-3-oxidanylidene-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]phthalazin-2-yl)hept-6-enoate Openeye Name: (E)-5-hydroxy-7-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]phthalazin-2-yl)-3-oxo-hept-6-enoate CAS Name: (E)-5-hydroxy-3-oxo-7-(1-phenyl-3-propan-2-yl-2-pyrrolo[2,1-a]phthalazinyl)-6-heptenoate IUPAC Name: (E)-5-hydroxy-3-oxo-7-(1-phenyl-3-propan-2-ylpyrrolo[2,1-a]phthalazin-2-yl)hept-6-enoate Traditional Name: (E)-5-hydroxy-7-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]phthalazin-2-yl)-3-keto-hept-6-enoate Formula: C27H25N2O4- MolecularWeight: 441.4984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2N1N=CC3=CC=CC=C32)C4=CC=CC=C4)C=CC(CC(=O)CC(=O)[O-])O

Isomeric SMILES

CC(C)C1=C(C(=C2N1N=CC3=CC=CC=C32)C4=CC=CC=C4)/C=C/C(CC(=O)CC(=O)[O-])O

InChI

InChI=1S/C27H26N2O4/c1-17(2)26-23(13-12-20(30)14-21(31)15-24(32)33)25(18-8-4-3-5-9-18)27-22-11-7-6-10-19(22)16-28-29(26)27/h3-13,16-17,20,30H,14-15H2,1-2H3,(H,32,33)/p-1/b13-12+