ethanedioic acid; [4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]-(oxolan-2-yl)methanone

Systemtic Name: ethanedioic acid; [4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]-(oxolan-2-yl)methanone Openeye Name: [4-(2-hydroxy-2-phenyl-ethyl)piperazin-1-yl]-tetrahydrofuran-2-yl-methanone; oxalic acid CAS Name: [4-(2-hydroxy-2-phenylethyl)-1-piperazinyl]-(2-oxolanyl)methanone; oxalic acid IUPAC Name: [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone; oxalic acid Traditional Name: [4-(2-hydroxy-2-phenyl-ethyl)piperazino]-(tetrahydrofuryl)methanone; oxalic acid Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)CC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)CC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O3.C2H2O4/c20-15(14-5-2-1-3-6-14)13-18-8-10-19(11-9-18)17(21)16-7-4-12-22-16;3-1(4)2(5)6/h1-3,5-6,15-16,20H,4,7-13H2;(H,3,4)(H,5,6)