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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-chlorophenoxy)-1-[4-(1-naphthylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-chlorophenoxy)-1-[4-(1-naphthalenylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-chlorophenoxy)-1-[4-(1-naphthylmethyl)piperazino]ethanone; oxalic acid Formula: C25H25ClN2O6 MolecularWeight: 484.9288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O2.C2H2O4/c24-20-8-10-21(11-9-20)28-17-23(27)26-14-12-25(13-15-26)16-19-6-3-5-18-4-1-2-7-22(18)19;3-1(4)2(5)6/h1-11H,12-17H2;(H,3,4)(H,5,6)