methyl (2S)-3-phenyl-2-[2-[(E)-3-quinolin-2-ylprop-2-enoyl]oxyethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[(E)-3-quinolin-2-ylprop-2-enoyl]oxyethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-[(E)-3-(2-quinolyl)prop-2-enoyl]oxyacetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[(E)-1-oxo-3-(2-quinolinyl)prop-2-enoxy]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-[(E)-3-quinolin-2-ylprop-2-enoyl]oxyacetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-[(E)-3-(2-quinolyl)acryloyl]oxyacetyl]amino]propionic acid methyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H22N2O5/c1-30-24(29)21(15-17-7-3-2-4-8-17)26-22(27)16-31-23(28)14-13-19-12-11-18-9-5-6-10-20(18)25-19/h2-14,21H,15-16H2,1H3,(H,26,27)/b14-13+/t21-/m0/s1