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

Systemtic Name: ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3.C2H2O4/c1-3-26-19-14-16(4-5-18(19)25-2)15-22-10-12-23(13-11-22)20(24)17-6-8-21-9-7-17;3-1(4)2(5)6/h4-9,14H,3,10-13,15H2,1-2H3;(H,3,4)(H,5,6)