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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO5/c1-4-22-13-8-10(7-12(17)14(13)21-3)16(20)23-9(2)15(19)18-11-5-6-11/h7-9,11H,4-6H2,1-3H3,(H,18,19)/t9-/m1/s1