ethanedioic acid; [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(4-fluorophenyl)methyl]-1-piperazinyl]-(2-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(4-fluorobenzyl)piperazino]-(2-methoxyphenyl)methanone; oxalic acid Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21FN2O2.C2H2O4/c1-24-18-5-3-2-4-17(18)19(23)22-12-10-21(11-13-22)14-15-6-8-16(20)9-7-15;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)