[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(3-phenoxyphenyl)prop-2-enoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(3-phenoxyphenyl)prop-2-enoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (E)-3-(3-phenoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-phenoxyphenyl)-2-propenoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-(3-phenoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-phenoxyphenyl)acrylic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C=CC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C23H24N2O4/c1-17(2)23(3,16-24)25-21(26)15-28-22(27)13-12-18-8-7-11-20(14-18)29-19-9-5-4-6-10-19/h4-14,17H,15H2,1-3H3,(H,25,26)/b13-12+/t23-/m0/s1