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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C16H21BrN2O3/c1-11(15(20)19-8-4-2-3-5-9-19)22-16(21)13-10-12(17)6-7-14(13)18/h6-7,10-11H,2-5,8-9,18H2,1H3/t11-/m1/s1