3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propan-1-one; ethanedioic acid

Systemtic Name: 3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propan-1-one; ethanedioic acid Openeye Name: 3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propan-1-one; oxalic acid CAS Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-1-propanone; oxalic acid IUPAC Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one; oxalic acid Traditional Name: 3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]propan-1-one; oxalic acid Formula: C23H33N3O9 MolecularWeight: 495.52282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H31N3O5.C2H2O4/c1-28-17-13-16(14-18(29-2)21(17)27)5-6-19(25)24-11-9-22(10-12-24)15-20(26)23-7-3-4-8-23;3-1(4)2(5)6/h13-14,27H,3-12,15H2,1-2H3;(H,3,4)(H,5,6)