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

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic 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-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C22H24FN3O4/c1-14-4-3-5-17(21(14)24)22(29)30-13-20(28)26-10-8-25(9-11-26)19-7-6-16(15(2)27)12-18(19)23/h3-7,12H,8-11,13,24H2,1-2H3