(2-chloranylquinolin-3-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (2-chloro-3-quinolyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H19ClN2O3/c1-15(24-20(26)12-11-16-7-3-2-4-8-16)22(27)28-14-18-13-17-9-5-6-10-19(17)25-21(18)23/h2-13,15H,14H2,1H3,(H,24,26)/b12-11+/t15-/m0/s1