[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H26FN3O5 MolecularWeight: 431.457343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H26FN3O5/c1-15(2)20(24-21(28)18-4-3-13-30-18)22(29)31-14-19(27)26-11-9-25(10-12-26)17-7-5-16(23)6-8-17/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,24,28)