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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-4-13(3)20-17(21)12-24-18(22)15(11-19)10-14-6-8-16(9-7-14)23-5-2/h6-10,13H,4-5,12H2,1-3H3,(H,20,21)/b15-10+/t13-/m0/s1