ethanedioic acid; (3-fluorophenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-[(2-methoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-(4-o-anisylpiperazino)methanone; oxalic acid Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

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