[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C25H31FN2O3 MolecularWeight: 426.523643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C25H31FN2O3/c1-25(2,3)20-11-8-19(9-12-20)10-13-24(30)31-18-23(29)28-16-14-27(15-17-28)22-7-5-4-6-21(22)26/h4-9,11-12H,10,13-18H2,1-3H3