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

Systemtic Name: ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone; oxalic acid CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(2-fluorophenyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone; oxalic acid Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(2-fluorophenyl)methanone; oxalic acid Formula: C22H25FN2O6 MolecularWeight: 432.442103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23FN2O2.C2H2O4/c1-2-25-17-9-7-16(8-10-17)15-22-11-13-23(14-12-22)20(24)18-5-3-4-6-19(18)21;3-1(4)2(5)6/h3-10H,2,11-15H2,1H3;(H,3,4)(H,5,6)