ethanedioic acid; 1-imidazol-1-yl-4-phenyl-isoquinoline

Systemtic Name: ethanedioic acid; 1-imidazol-1-yl-4-phenyl-isoquinoline Openeye Name: 1-imidazol-1-yl-4-phenyl-isoquinoline; oxalic acid CAS Name: 1-(1-imidazolyl)-4-phenylisoquinoline; oxalic acid IUPAC Name: 1-imidazol-1-yl-4-phenylisoquinoline; oxalic acid Traditional Name: 1-imidazol-1-yl-4-phenyl-isoquinoline; oxalic acid Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(C3=CC=CC=C32)N4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(C3=CC=CC=C32)N4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H13N3.C2H2O4/c1-2-6-14(7-3-1)17-12-20-18(21-11-10-19-13-21)16-9-5-4-8-15(16)17;3-1(4)2(5)6/h1-13H;(H,3,4)(H,5,6)