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

Systemtic Name: ethanedioic acid; 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(3-ethoxy-4-methoxy-benzyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C24H30N2O7 MolecularWeight: 458.5042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O3.C2H2O4/c1-3-27-21-15-19(9-10-20(21)26-2)17-23-11-13-24(14-12-23)22(25)16-18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15H,3,11-14,16-17H2,1-2H3;(H,3,4)(H,5,6)