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

Systemtic Name: ethanedioic acid; 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(4-ethylbenzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O2.C2H2O4/c1-2-20-7-9-21(10-8-20)18-26-13-15-27(16-14-26)25(28)19-29-24-12-11-22-5-3-4-6-23(22)17-24;3-1(4)2(5)6/h3-12,17H,2,13-16,18-19H2,1H3;(H,3,4)(H,5,6)