(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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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=CO3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CO3)Cl)C

InChI

InChI=1S/C22H23ClN2O4/c1-12(2)18(25-21(26)17-6-5-9-28-17)22(27)29-11-16-10-15-8-7-13(3)14(4)19(15)24-20(16)23/h5-10,12,18H,11H2,1-4H3,(H,25,26)/t18-/m0/s1