[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1S)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H19FN2O3 MolecularWeight: 330.353463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@@H](C)C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O3/c1-11-4-3-5-15(16(11)20)18(23)24-12(2)17(22)21-10-13-6-8-14(19)9-7-13/h3-9,12H,10,20H2,1-2H3,(H,21,22)/t12-/m0/s1