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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO3/c1-3-9-17-15(19)11(2)20-14(18)8-7-12-5-4-6-13(16)10-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,19)/b8-7+/t11-/m0/s1