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

Systemtic Name: ethanedioic acid; [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]-4-piperidyl]methanone; oxalic acid CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-[(2-fluorophenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: [1-(2-fluorobenzyl)-4-piperidyl]-(4-o-phenetylpiperazino)methanone; oxalic acid Formula: C27H34FN3O6 MolecularWeight: 515.573763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CC=C4F.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CC=C4F.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32FN3O2.C2H2O4/c1-2-31-24-10-6-5-9-23(24)28-15-17-29(18-16-28)25(30)20-11-13-27(14-12-20)19-21-7-3-4-8-22(21)26;3-1(4)2(5)6/h3-10,20H,2,11-19H2,1H3;(H,3,4)(H,5,6)