3-cyclopentyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one; ethanedioic acid

Systemtic Name: 3-cyclopentyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one; ethanedioic acid Openeye Name: 3-cyclopentyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one; oxalic acid CAS Name: 3-cyclopentyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1-propanone; oxalic acid IUPAC Name: 3-cyclopentyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one; oxalic acid Traditional Name: 3-cyclopentyl-1-[4-(2,3,4-trimethoxybenzyl)piperazino]propan-1-one; oxalic acid Formula: C24H36N2O8 MolecularWeight: 480.55124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CCC3CCCC3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CCC3CCCC3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H34N2O4.C2H2O4/c1-26-19-10-9-18(21(27-2)22(19)28-3)16-23-12-14-24(15-13-23)20(25)11-8-17-6-4-5-7-17;3-1(4)2(5)6/h9-10,17H,4-8,11-16H2,1-3H3;(H,3,4)(H,5,6)