ethanedioic acid; 2-(4-ethoxyphenoxy)-N-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(4-ethoxyphenoxy)-N-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl]-2-(4-ethoxyphenoxy)ethanamine; oxalic acid CAS Name: 2-(4-ethoxyphenoxy)-N-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]ethanamine; oxalic acid IUPAC Name: N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(4-ethoxyphenoxy)ethanamine; oxalic acid Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl-[2-(4-ethoxyphenoxy)ethyl]amine; oxalic acid Formula: C28H30N4O6 MolecularWeight: 518.561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNCC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNCC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N4O2.C2H2O4/c1-2-31-24-10-12-25(13-11-24)32-16-15-28-18-23-20-30(19-21-7-4-3-5-8-21)29-26(23)22-9-6-14-27-17-22;3-1(4)2(5)6/h3-14,17,20,28H,2,15-16,18-19H2,1H3;(H,3,4)(H,5,6)