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

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C(C)NC(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13-16-10-6-7-11-17(16)25-18(19(13)22)12-28-20(26)14(2)23-21(27)24-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H2,23,24,27)/t14-/m0/s1