[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate

Systemtic Name: [(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate Openeye Name: [(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)Br)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)Br)OC2=CC=CC=C2

InChI

InChI=1S/C19H20BrNO4/c1-3-17(25-16-7-5-4-6-8-16)19(23)24-13(2)18(22)21-15-11-9-14(20)10-12-15/h4-13,17H,3H2,1-2H3,(H,21,22)/t13-,17-/m1/s1