[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone; ethanedioic acid

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone; ethanedioic acid Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-1-yl]-(3-pyridyl)methanone; oxalic acid CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone; oxalic acid IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone; oxalic acid Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazino]-(3-pyridyl)methanone; oxalic acid Formula: C21H25N3O8 MolecularWeight: 447.4385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O4.C2H2O4/c1-25-16-10-14(11-17(26-2)18(16)23)13-21-6-8-22(9-7-21)19(24)15-4-3-5-20-12-15;3-1(4)2(5)6/h3-5,10-12,23H,6-9,13H2,1-2H3;(H,3,4)(H,5,6)