ethanedioic acid; 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

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