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

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazino]-phenyl-methanone; oxalic acid Formula: C22H26N2O8 MolecularWeight: 446.45044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4.C2H2O4/c1-25-17-12-15(13-18(26-2)19(17)23)14-21-8-10-22(11-9-21)20(24)16-6-4-3-5-7-16;3-1(4)2(5)6/h3-7,12-13,23H,8-11,14H2,1-2H3;(H,3,4)(H,5,6)