[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(propan-2-ylcarbamoylamino)benzoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(propan-2-ylcarbamoylamino)benzoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(isopropylcarbamoylamino)benzoate CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]benzoic 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] 2-(propan-2-ylcarbamoylamino)benzoate Traditional Name: 2-(isopropylcarbamoylamino)benzoic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C25H29FN4O5 MolecularWeight: 484.519963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C25H29FN4O5/c1-16(2)27-25(34)28-21-7-5-4-6-19(21)24(33)35-15-23(32)30-12-10-29(11-13-30)22-9-8-18(17(3)31)14-20(22)26/h4-9,14,16H,10-13,15H2,1-3H3,(H2,27,28,34)