ethanedioic acid; 2-[[4-(4-methylphenyl)phthalazin-1-yl]amino]butan-1-ol

Systemtic Name: ethanedioic acid; 2-[[4-(4-methylphenyl)phthalazin-1-yl]amino]butan-1-ol Openeye Name: oxalic acid; 2-[[4-(p-tolyl)phthalazin-1-yl]amino]butan-1-ol CAS Name: 2-[[4-(4-methylphenyl)-1-phthalazinyl]amino]-1-butanol; oxalic acid IUPAC Name: 2-[[4-(4-methylphenyl)phthalazin-1-yl]amino]butan-1-ol; oxalic acid Traditional Name: oxalic acid; 2-[[4-(p-tolyl)phthalazin-1-yl]amino]butan-1-ol Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CO)NC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O.C2H2O4/c1-3-15(12-23)20-19-17-7-5-4-6-16(17)18(21-22-19)14-10-8-13(2)9-11-14;3-1(4)2(5)6/h4-11,15,23H,3,12H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)