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

Systemtic Name: (4-cyclohexylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; ethanedioic acid Openeye Name: (4-cyclohexylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid CAS Name: (4-cyclohexyl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid IUPAC Name: (4-cyclohexylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Traditional Name: (4-cyclohexylpiperazino)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O4.C2H2O4/c1-24-17-13-15(14-18(25-2)19(17)26-3)20(23)22-11-9-21(10-12-22)16-7-5-4-6-8-16;3-1(4)2(5)6/h13-14,16H,4-12H2,1-3H3;(H,3,4)(H,5,6)