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

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCC3=NC4=CC=CC=C4O3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCC3=NC4=CC=CC=C4O3)Cl)C

InChI

InChI=1S/C22H19ClN2O3/c1-13-7-8-15-11-16(22(23)25-21(15)14(13)2)12-27-20(26)10-9-19-24-17-5-3-4-6-18(17)28-19/h3-8,11H,9-10,12H2,1-2H3