[4-(2-adamantyl)piperazin-1-yl]-(4-methoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-(2-adamantyl)piperazin-1-yl]-(4-methoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-(2-adamantyl)piperazin-1-yl]-(4-methoxyphenyl)methanone; oxalic acid CAS Name: [4-(2-adamantyl)-1-piperazinyl]-(4-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-(2-adamantyl)piperazin-1-yl]-(4-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(2-adamantyl)piperazino]-(4-methoxyphenyl)methanone; oxalic acid Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O2.C2H2O4/c1-26-20-4-2-17(3-5-20)22(25)24-8-6-23(7-9-24)21-18-11-15-10-16(13-18)14-19(21)12-15;3-1(4)2(5)6/h2-5,15-16,18-19,21H,6-14H2,1H3;(H,3,4)(H,5,6)