ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(1-naphthylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-(1-naphthalenylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-[4-(1-naphthylmethyl)piperazino]ethanone; oxalic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O2.C2H2O4/c1-19-6-4-10-22(16-19)28-18-24(27)26-14-12-25(13-15-26)17-21-9-5-8-20-7-2-3-11-23(20)21;3-1(4)2(5)6/h2-11,16H,12-15,17-18H2,1H3;(H,3,4)(H,5,6)