[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4/c1-16(23(28)19-15-25-20-10-6-5-9-18(19)20)29-22(27)13-14-24-21(26)12-11-17-7-3-2-4-8-17/h2-12,15-16,25H,13-14H2,1H3,(H,24,26)/b12-11+/t16-/m0/s1