(3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H27ClN2O3/c1-14-18-4-2-3-5-19(18)27-20(22(14)25)13-30-21(28)12-26-23(29)24-9-15-6-16(10-24)8-17(7-15)11-24/h2-5,15-17H,6-13H2,1H3,(H,26,29)