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

Systemtic Name: ethanedioic acid; 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(4-ethoxybenzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O3.C2H2O4/c1-2-29-23-10-7-20(8-11-23)18-26-13-15-27(16-14-26)25(28)19-30-24-12-9-21-5-3-4-6-22(21)17-24;3-1(4)2(5)6/h3-12,17H,2,13-16,18-19H2,1H3;(H,3,4)(H,5,6)