[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)/C(=C/C1=CC=C(C=C1)C(C)C)/C#N

InChI

InChI=1S/C20H26N2O3/c1-5-6-15(4)22-19(23)13-25-20(24)18(12-21)11-16-7-9-17(10-8-16)14(2)3/h7-11,14-15H,5-6,13H2,1-4H3,(H,22,23)/b18-11+/t15-/m0/s1