[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C=CC1=CC(=CC=C1)Br

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)/C=C/C1=CC(=CC=C1)Br

InChI

InChI=1S/C16H20BrNO3/c1-11(2)10-18-16(20)12(3)21-15(19)8-7-13-5-4-6-14(17)9-13/h4-9,11-12H,10H2,1-3H3,(H,18,20)/b8-7+/t12-/m0/s1