(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCN3C4=CC=CC=C4OC3=O)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCN3C4=CC=CC=C4OC3=O)Cl)C

InChI

InChI=1S/C22H19ClN2O4/c1-13-7-8-15-11-16(21(23)24-20(15)14(13)2)12-28-19(26)9-10-25-17-5-3-4-6-18(17)29-22(25)27/h3-8,11H,9-10,12H2,1-2H3