[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H16BrNO3 MolecularWeight: 410.26064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H16BrNO3/c1-14(21(25)17-7-10-18(22)11-8-17)26-19(24)12-9-16-5-2-4-15-6-3-13-23-20(15)16/h2-14H,1H3/b12-9+/t14-/m0/s1