ethanedioic acid; 2-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylamino]ethanol

Systemtic Name: ethanedioic acid; 2-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylamino]ethanol Openeye Name: 2-[[1-benzyl-3-(p-tolyl)pyrazol-4-yl]methylamino]ethanol; oxalic acid CAS Name: 2-[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylamino]ethanol; oxalic acid IUPAC Name: 2-[[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]methylamino]ethanol; oxalic acid Traditional Name: 2-[[1-benzyl-3-(p-tolyl)pyrazol-4-yl]methylamino]ethanol; oxalic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CNCCO)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CNCCO)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O.C2H2O4/c1-16-7-9-18(10-8-16)20-19(13-21-11-12-24)15-23(22-20)14-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-10,15,21,24H,11-14H2,1H3;(H,3,4)(H,5,6)