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

Systemtic Name: ethanedioic acid; 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(3-ethoxy-4-methoxy-benzyl)piperazino]-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C25H32N2O8 MolecularWeight: 488.53018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4.C2H2O4/c1-4-28-22-15-19(8-9-21(22)27-3)16-24-10-12-25(13-11-24)23(26)17-29-20-7-5-6-18(2)14-20;3-1(4)2(5)6/h5-9,14-15H,4,10-13,16-17H2,1-3H3;(H,3,4)(H,5,6)