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

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic 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)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C26H32FN3O5 MolecularWeight: 485.547783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O5/c1-3-19(2)24(28-26(33)35-17-20-7-5-4-6-8-20)25(32)34-18-23(31)30-15-13-29(14-16-30)22-11-9-21(27)10-12-22/h4-12,19,24H,3,13-18H2,1-2H3,(H,28,33)