(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C(C)NC(=O)NC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O3/c1-13-9-10-16-11-17(20(23)26-19(16)14(13)2)12-29-21(27)15(3)24-22(28)25-18-7-5-4-6-8-18/h4-11,15H,12H2,1-3H3,(H2,24,25,28)/t15-/m0/s1