(3-chloranyl-4-methyl-quinolin-2-yl)methyl (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C(C)NC(=O)COC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](C)NC(=O)COC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-14-17-10-6-7-11-18(17)25-19(21(14)23)12-29-22(27)15(2)24-20(26)13-28-16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3,(H,24,26)/t15-/m0/s1