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

Systemtic Name: ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-(4-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(4-methoxyphenyl)methanone; oxalic acid Formula: C24H30N2O8 MolecularWeight: 474.5036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4.C2H2O4/c1-4-28-21-15-17(5-10-20(21)27-3)16-23-11-13-24(14-12-23)22(25)18-6-8-19(26-2)9-7-18;3-1(4)2(5)6/h5-10,15H,4,11-14,16H2,1-3H3;(H,3,4)(H,5,6)