[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C=CC1=CC=C(C=C1)Br)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C20H20BrNO3/c1-15(17-5-3-2-4-6-17)13-22-19(23)14-25-20(24)12-9-16-7-10-18(21)11-8-16/h2-12,15H,13-14H2,1H3,(H,22,23)/b12-9+/t15-/m1/s1