ethanedioic acid; 3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: ethanedioic acid; 3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one; oxalic acid CAS Name: 3-[[3-[(2-methylphenoxy)methyl]-1-pyrrolidinyl]methyl]-1H-pyrazin-2-one; oxalic acid IUPAC Name: 3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one; oxalic acid Traditional Name: 3-[[3-[(2-methylphenoxy)methyl]pyrrolidino]methyl]-1H-pyrazin-2-one; oxalic acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2CCN(C2)CC3=NC=CNC3=O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC2CCN(C2)CC3=NC=CNC3=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N3O2.C2H2O4/c1-13-4-2-3-5-16(13)22-12-14-6-9-20(10-14)11-15-17(21)19-8-7-18-15;3-1(4)2(5)6/h2-5,7-8,14H,6,9-12H2,1H3,(H,19,21);(H,3,4)(H,5,6)