(3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCNC(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCNC(=O)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H21ClN2O3/c1-16-18-9-5-6-10-19(18)26-20(23(16)24)15-29-22(28)13-14-25-21(27)12-11-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,25,27)/b12-11+