1-[4-(2-adamantyl)piperazin-1-yl]-2-(4-chloranylphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-[4-(2-adamantyl)piperazin-1-yl]-2-(4-chloranylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-(2-adamantyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone; oxalic acid CAS Name: 1-[4-(2-adamantyl)-1-piperazinyl]-2-(4-chlorophenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-(2-adamantyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(2-adamantyl)piperazino]-2-(4-chlorophenoxy)ethanone; oxalic acid Formula: C24H31ClN2O6 MolecularWeight: 478.96574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)COC5=CC=C(C=C5)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)COC5=CC=C(C=C5)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29ClN2O2.C2H2O4/c23-19-1-3-20(4-2-19)27-14-21(26)24-5-7-25(8-6-24)22-17-10-15-9-16(12-17)13-18(22)11-15;3-1(4)2(5)6/h1-4,15-18,22H,5-14H2;(H,3,4)(H,5,6)