[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C25H28FN3O5 MolecularWeight: 469.505323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN3O5/c1-17(27-25(33)19-6-4-3-5-7-19)14-24(32)34-16-23(31)29-12-10-28(11-13-29)22-9-8-20(18(2)30)15-21(22)26/h3-9,15,17H,10-14,16H2,1-2H3,(H,27,33)