ethanedioic acid; 1,2,4-trimethyl-5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethylamino]pyrazol-3-one

Systemtic Name: ethanedioic acid; 1,2,4-trimethyl-5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethylamino]pyrazol-3-one Openeye Name: 5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethylamino]-1,2,4-trimethyl-pyrazol-3-one; oxalic acid CAS Name: 5-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,2,4-trimethyl-3-pyrazolone; oxalic acid IUPAC Name: 5-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,2,4-trimethylpyrazol-3-one; oxalic acid Traditional Name: 5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethylamino]-1,2,4-trimethyl-3-pyrazolin-3-one; oxalic acid Formula: C19H28N4O7 MolecularWeight: 424.44822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=O)C)C)NCCNCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(N(N(C1=O)C)C)NCCNCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N4O3.C2H2O4/c1-13-16(20(2)21(3)17(13)23)19-10-9-18-11-14(22)12-24-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-8,14,18-19,22H,9-12H2,1-3H3;(H,3,4)(H,5,6)