[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H23NO3/c1-3-16(2)18-11-7-8-12-19(18)22-20(23)15-25-21(24)14-13-17-9-5-4-6-10-17/h4-14,16H,3,15H2,1-2H3,(H,22,23)/b14-13+/t16-/m0/s1