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

Systemtic Name: (4-cycloheptylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; ethanedioic acid Openeye Name: (4-cycloheptylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid CAS Name: (4-cycloheptyl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid IUPAC Name: (4-cycloheptylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Traditional Name: (4-cycloheptylpiperazino)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Formula: C23H34N2O8 MolecularWeight: 466.52466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H32N2O4.C2H2O4/c1-25-18-14-16(15-19(26-2)20(18)27-3)21(24)23-12-10-22(11-13-23)17-8-6-4-5-7-9-17;3-1(4)2(5)6/h14-15,17H,4-13H2,1-3H3;(H,3,4)(H,5,6)