(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c1-12-3-4-15-9-16(20(22)24-19(15)13(12)2)10-28-21(26)14-5-7-17(8-6-14)27-11-18(23)25/h3-9H,10-11H2,1-2H3,(H2,23,25)