ethanedioic acid; 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(1-naphthylmethyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O2.C2H2O4/c26-23(18-27-21-10-2-1-3-11-21)25-15-13-24(14-16-25)17-20-9-6-8-19-7-4-5-12-22(19)20;3-1(4)2(5)6/h1-12H,13-18H2;(H,3,4)(H,5,6)