1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone; ethanedioic acid Openeye Name: 1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone; oxalic acid CAS Name: 1-(4-cycloheptyl-1-piperazinyl)-2-(4-methoxyphenoxy)ethanone; oxalic acid IUPAC Name: 1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone; oxalic acid Traditional Name: 1-(4-cycloheptylpiperazino)-2-(4-methoxyphenoxy)ethanone; oxalic acid Formula: C22H32N2O7 MolecularWeight: 436.49868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-24-18-8-10-19(11-9-18)25-16-20(23)22-14-12-21(13-15-22)17-6-4-2-3-5-7-17;3-1(4)2(5)6/h8-11,17H,2-7,12-16H2,1H3;(H,3,4)(H,5,6)