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

Systemtic Name: [(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C18H18BrNO3/c1-11-4-9-16(12(2)10-11)18(22)23-13(3)17(21)20-15-7-5-14(19)6-8-15/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1