ethanedioic acid; N-(2-fluorophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; N-(2-fluorophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-fluorophenyl)-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: N-(2-fluorophenyl)-2-[4-(2-oxolanylmethyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(2-fluorophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide; oxalic acid Traditional Name: N-(2-fluorophenyl)-2-[4-(tetrahydrofurfuryl)piperazino]propionamide; oxalic acid Formula: C22H30FN3O10 MolecularWeight: 515.486103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26FN3O2.2C2H2O4/c1-14(18(23)20-17-7-3-2-6-16(17)19)22-10-8-21(9-11-22)13-15-5-4-12-24-15;2*3-1(4)2(5)6/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23);2*(H,3,4)(H,5,6)