ethanedioic acid; [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: oxalic acid; (4-p-anisylpiperazino)-(4-pyridyl)methanone Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O2.C2H2O4/c1-23-17-4-2-15(3-5-17)14-20-10-12-21(13-11-20)18(22)16-6-8-19-9-7-16;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)