[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C18H19BrN2O3/c1-12(17(22)21-10-9-13-5-3-2-4-6-13)24-18(23)15-11-14(19)7-8-16(15)20/h2-8,11-12H,9-10,20H2,1H3,(H,21,22)/t12-/m1/s1