[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2CC2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)O[C@H](C)C(=O)NC2CC2)OC

InChI

InChI=1S/C17H22BrNO5/c1-4-7-23-15-13(18)8-11(9-14(15)22-3)17(21)24-10(2)16(20)19-12-5-6-12/h8-10,12H,4-7H2,1-3H3,(H,19,20)/t10-/m1/s1