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

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-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(CC3=CC=CC=C3)NC(=O)N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N)Cl)C

InChI

InChI=1S/C22H22ClN3O3/c1-13-8-9-16-11-17(20(23)26-19(16)14(13)2)12-29-21(27)18(25-22(24)28)10-15-6-4-3-5-7-15/h3-9,11,18H,10,12H2,1-2H3,(H3,24,25,28)/t18-/m0/s1