(4-cyclopentylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; ethanedioic acid

Systemtic Name: (4-cyclopentylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; ethanedioic acid Openeye Name: (4-cyclopentylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid CAS Name: (4-cyclopentyl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid IUPAC Name: (4-cyclopentylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Traditional Name: (4-cyclopentylpiperazino)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Formula: C21H30N2O8 MolecularWeight: 438.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O4.C2H2O4/c1-23-16-12-14(13-17(24-2)18(16)25-3)19(22)21-10-8-20(9-11-21)15-6-4-5-7-15;3-1(4)2(5)6/h12-13,15H,4-11H2,1-3H3;(H,3,4)(H,5,6)