[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OCC(=O)NC(C)(C#N)C(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)Br

InChI

InChI=1S/C18H21BrN2O3/c1-12(2)18(4,11-20)21-16(22)10-24-17(23)8-7-14-6-5-13(3)9-15(14)19/h5-9,12H,10H2,1-4H3,(H,21,22)/b8-7+/t18-/m1/s1