[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; oxalic acid CAS Name: [4-(1-cyclohex-3-enylmethyl)-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone; oxalic acid IUPAC Name: [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; oxalic acid Traditional Name: [4-(cyclohex-3-en-1-ylmethyl)piperazino]-(3,5-dimethoxyphenyl)methanone; oxalic acid Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3CCC=CC3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3CCC=CC3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28N2O3.C2H2O4/c1-24-18-12-17(13-19(14-18)25-2)20(23)22-10-8-21(9-11-22)15-16-6-4-3-5-7-16;3-1(4)2(5)6/h3-4,12-14,16H,5-11,15H2,1-2H3;(H,3,4)(H,5,6)