[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C17H16BrFN2O3 MolecularWeight: 395.222943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=C(C=C(C=C2)F)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=C(C=C(C=C2)F)N

InChI

InChI=1S/C17H16BrFN2O3/c1-10(11-2-4-12(18)5-3-11)21-16(22)9-24-17(23)14-7-6-13(19)8-15(14)20/h2-8,10H,9,20H2,1H3,(H,21,22)/t10-/m0/s1