[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2-bromanyl-4-methyl-phenoxy)ethanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2-bromanyl-4-methyl-phenoxy)ethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(2-bromo-4-methyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-methylphenoxy)acetic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-bromo-4-methylphenoxy)acetate Traditional Name: 2-(2-bromo-4-methyl-phenoxy)acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)Br

InChI

InChI=1S/C20H20BrNO4/c1-13-7-10-17(16(21)11-13)25-12-18(23)26-19(14-5-3-2-4-6-14)20(24)22-15-8-9-15/h2-7,10-11,15,19H,8-9,12H2,1H3,(H,22,24)/t19-/m1/s1