[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C=CC1=C(C=C(C=C1)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-4-9-18-16(20)12(3)21-15(19)8-7-13-6-5-11(2)10-14(13)17/h5-8,10,12H,4,9H2,1-3H3,(H,18,20)/b8-7+/t12-/m0/s1