[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC=CC=C2Br)F

InChI

InChI=1S/C18H17BrFNO3/c1-11-7-8-13(9-16(11)20)18(23)24-10-17(22)21-12(2)14-5-3-4-6-15(14)19/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m0/s1