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

Systemtic Name: (4-cyclohexylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone; ethanedioic acid Openeye Name: (4-cyclohexylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone; oxalic acid CAS Name: (4-cyclohexyl-1-piperazinyl)-(3,5-dimethoxyphenyl)methanone; oxalic acid IUPAC Name: (4-cyclohexylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone; oxalic acid Traditional Name: (4-cyclohexylpiperazino)-(3,5-dimethoxyphenyl)methanone; oxalic acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3CCCCC3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3CCCCC3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O3.C2H2O4/c1-23-17-12-15(13-18(14-17)24-2)19(22)21-10-8-20(9-11-21)16-6-4-3-5-7-16;3-1(4)2(5)6/h12-14,16H,3-11H2,1-2H3;(H,3,4)(H,5,6)