ethanedioic acid; 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]ethanamine

Systemtic Name: ethanedioic acid; 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]ethanamine Openeye Name: 1-(2-methoxyphenyl)-N-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]ethanamine; oxalic acid CAS Name: 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]ethanamine; oxalic acid IUPAC Name: 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine; oxalic acid Traditional Name: 1-(2-methoxyphenyl)ethyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CNC(C)C3=CC=CC=C3OC)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CNC(C)C3=CC=CC=C3OC)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H27N3O.C2H2O4/c1-19-13-15-21(16-14-19)26-22(18-29(28-26)23-9-5-4-6-10-23)17-27-20(2)24-11-7-8-12-25(24)30-3;3-1(4)2(5)6/h4-16,18,20,27H,17H2,1-3H3;(H,3,4)(H,5,6)