ethanedioic acid; 2-phenoxy-1-[4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-phenoxy-1-[4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-(1-benzyl-4-piperidyl)piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: oxalic acid; 2-phenoxy-1-[4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(1-benzyl-4-piperidyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O2.C2H2O4/c28-24(20-29-23-9-5-2-6-10-23)27-17-15-26(16-18-27)22-11-13-25(14-12-22)19-21-7-3-1-4-8-21;3-1(4)2(5)6/h1-10,22H,11-20H2;(H,3,4)(H,5,6)