ethanedioic acid; 1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: oxalic acid; 1-(4-p-anisoylpiperazino)-2-phenyl-ethanone Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O3.C2H2O4/c1-25-18-9-7-17(8-10-18)20(24)22-13-11-21(12-14-22)19(23)15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-10H,11-15H2,1H3;(H,3,4)(H,5,6)