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

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C25H30FN3O5 MolecularWeight: 471.521203

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30FN3O5/c1-18(2)23(27-25(32)34-16-19-6-4-3-5-7-19)24(31)33-17-22(30)29-14-12-28(13-15-29)21-10-8-20(26)9-11-21/h3-11,18,23H,12-17H2,1-2H3,(H,27,32)