[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C20H21BrFN3O3 MolecularWeight: 450.301443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C20H21BrFN3O3/c21-15-5-6-18(23)16(11-15)20(27)28-13-19(26)25-9-7-24(8-10-25)12-14-3-1-2-4-17(14)22/h1-6,11H,7-10,12-13,23H2