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

Systemtic Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(2,4-dimethoxybenzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C27H30N2O8 MolecularWeight: 510.5357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O4.C2H2O4/c1-29-22-9-8-21(24(16-22)30-2)17-26-11-13-27(14-12-26)25(28)18-31-23-10-7-19-5-3-4-6-20(19)15-23;3-1(4)2(5)6/h3-10,15-16H,11-14,17-18H2,1-2H3;(H,3,4)(H,5,6)