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

Systemtic Name: ethanedioic acid; 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol Openeye Name: oxalic acid; 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol CAS Name: oxalic acid; 2-[(4-phenyl-1-phthalazinyl)amino]-1-butanol IUPAC Name: oxalic acid; 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol Traditional Name: oxalic acid; 2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O.C2H2O4/c1-2-14(12-22)19-18-16-11-7-6-10-15(16)17(20-21-18)13-8-4-3-5-9-13;3-1(4)2(5)6/h3-11,14,22H,2,12H2,1H3,(H,19,21);(H,3,4)(H,5,6)