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

Systemtic Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 2-(2-naphthoxy)-1-(4-o-veratrylpiperazino)ethanone; oxalic acid Formula: C27H30N2O8 MolecularWeight: 510.5357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

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