ethanedioic acid; (3-oxidanyl-1-adamantyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-oxidanyl-1-adamantyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3-hydroxy-1-adamantyl)methanone; oxalic acid CAS Name: (3-hydroxy-1-adamantyl)-[4-(phenylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-benzylpiperazin-1-yl)-(3-hydroxy-1-adamantyl)methanone; oxalic acid Traditional Name: (4-benzylpiperazino)-(3-hydroxy-1-adamantyl)methanone; oxalic acid Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)(C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)(C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O2.C2H2O4/c25-20(21-11-18-10-19(12-21)14-22(26,13-18)16-21)24-8-6-23(7-9-24)15-17-4-2-1-3-5-17;3-1(4)2(5)6/h1-5,18-19,26H,6-16H2;(H,3,4)(H,5,6)