2-(1-oxidanylidene-4-phenyl-6H-pyrazino[1,2-b]isoquinolin-2-yl)-3-phenyl-propanoic acid

Systemtic Name: 2-(1-oxidanylidene-4-phenyl-6H-pyrazino[1,2-b]isoquinolin-2-yl)-3-phenyl-propanoic acid Openeye Name: 2-(1-oxo-4-phenyl-6H-pyrazino[1,2-b]isoquinolin-2-yl)-3-phenyl-propanoic acid CAS Name: 2-(1-oxo-4-phenyl-6H-pyrazino[1,2-b]isoquinolin-2-yl)-3-phenylpropanoic acid IUPAC Name: 2-(1-oxo-4-phenyl-6H-pyrazino[1,2-b]isoquinolin-2-yl)-3-phenylpropanoic acid Traditional Name: 2-(1-keto-4-phenyl-6H-pyrazin[1,2-b]isoquinolin-2-yl)-3-phenyl-propionic acid Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C=C3N1C(=CN(C3=O)C(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2C=C3N1C(=CN(C3=O)C(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O3/c30-26-23-16-21-13-7-8-14-22(21)17-28(23)25(20-11-5-2-6-12-20)18-29(26)24(27(31)32)15-19-9-3-1-4-10-19/h1-14,16,18,24H,15,17H2,(H,31,32)