(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3C)Cl)C

InChI

InChI=1S/C25H27ClN2O3/c1-14(2)21(28-24(29)20-9-7-6-8-16(20)4)25(30)31-13-19-12-18-11-10-15(3)17(5)22(18)27-23(19)26/h6-12,14,21H,13H2,1-5H3,(H,28,29)/t21-/m0/s1