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

Systemtic Name: ethanedioic acid; 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(3-ethoxy-4-methoxy-benzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C28H32N2O8 MolecularWeight: 524.56228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4.C2H2O4/c1-3-31-25-16-20(8-11-24(25)30-2)18-27-12-14-28(15-13-27)26(29)19-32-23-10-9-21-6-4-5-7-22(21)17-23;3-1(4)2(5)6/h4-11,16-17H,3,12-15,18-19H2,1-2H3;(H,3,4)(H,5,6)