[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(2-bromo-4,5-diethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-diethoxyphenyl)acetic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-diethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-diethoxy-phenyl)acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)OC(C)C(=O)NC2CC2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)O[C@H](C)C(=O)NC2CC2)Br)OCC

InChI

InChI=1S/C18H24BrNO5/c1-4-23-15-8-12(14(19)10-16(15)24-5-2)9-17(21)25-11(3)18(22)20-13-6-7-13/h8,10-11,13H,4-7,9H2,1-3H3,(H,20,22)/t11-/m1/s1