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

Systemtic Name: ethanedioic acid; N-[[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-pyrrolidin-1-yl-ethanamine Openeye Name: N-[[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrolidin-1-yl-ethanamine; oxalic acid CAS Name: N-[[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-(1-pyrrolidinyl)ethanamine; oxalic acid IUPAC Name: N-[[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrolidin-1-ylethanamine; oxalic acid Traditional Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl-(2-pyrrolidinoethyl)amine; oxalic acid Formula: C28H34N4O9 MolecularWeight: 570.59096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2CNCCN3CCCC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2CNCCN3CCCC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N4O.2C2H2O4/c1-29-23-12-6-5-11-22(23)24-21(17-25-13-16-27-14-7-8-15-27)19-28(26-24)18-20-9-3-2-4-10-20;2*3-1(4)2(5)6/h2-6,9-12,19,25H,7-8,13-18H2,1H3;2*(H,3,4)(H,5,6)