(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-(cyclohexylcarbonylamino)ethanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-(cyclohexylcarbonylamino)ethanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 2-(cyclohexanecarbonylamino)acetate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 2-(cyclohexanecarbonylamino)acetate Traditional Name: 2-(cyclohexanecarbonylamino)acetic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)C3CCCCC3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)C3CCCCC3)Cl)C

InChI

InChI=1S/C21H25ClN2O3/c1-13-8-9-16-10-17(20(22)24-19(16)14(13)2)12-27-18(25)11-23-21(26)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,23,26)