ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2.C2H2O4/c1-3-25-20-13-17(6-7-19(20)24-2)15-22-9-11-23(12-10-22)16-18-5-4-8-21-14-18;3-1(4)2(5)6/h4-8,13-14H,3,9-12,15-16H2,1-2H3;(H,3,4)(H,5,6)