ethanedioic acid; 3-[4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile; oxalic acid CAS Name: 3-[4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-3-phenyl-1-pyrazolyl]propanenitrile; oxalic acid IUPAC Name: 3-[4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-3-phenylpyrazol-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-3-phenyl-pyrazol-1-yl]propionitrile; oxalic acid Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNCC2=CN(N=C2C3=CC=CC=C3)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNCC2=CN(N=C2C3=CC=CC=C3)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N4O2.C2H2O4/c1-2-28-21-9-11-22(12-10-21)29-16-14-25-17-20-18-27(15-6-13-24)26-23(20)19-7-4-3-5-8-19;3-1(4)2(5)6/h3-5,7-12,18,25H,2,6,14-17H2,1H3;(H,3,4)(H,5,6)