(3-chloranyl-4-methyl-quinolin-2-yl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=NC3=CC=CC=C3C(=C2Cl)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=NC3=CC=CC=C3C(=C2Cl)C

InChI

InChI=1S/C24H25ClN2O3/c1-14(2)22(27-23(28)17-9-7-8-15(3)12-17)24(29)30-13-20-21(25)16(4)18-10-5-6-11-19(18)26-20/h5-12,14,22H,13H2,1-4H3,(H,27,28)/t22-/m0/s1