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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-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)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-3-4-13(2)19-16(20)12-22-17(21)10-9-14-5-7-15(11-18)8-6-14/h5-10,13H,3-4,12H2,1-2H3,(H,19,20)/b10-9+/t13-/m0/s1