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

Systemtic Name: 1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one; ethanedioic acid Openeye Name: 1-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazino]-3-methyl-butan-1-one; oxalic acid Formula: C20H30N2O8 MolecularWeight: 426.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O4.C2H2O4/c1-13(2)9-17(21)20-7-5-19(6-8-20)12-14-10-15(23-3)18(22)16(11-14)24-4;3-1(4)2(5)6/h10-11,13,22H,5-9,12H2,1-4H3;(H,3,4)(H,5,6)