[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-chloro-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C)Cl

InChI

InChI=1S/C21H22ClNO4/c1-14-9-18(22)10-15(2)21(14)27-13-20(25)26-12-19(24)23-8-7-16-5-3-4-6-17(16)11-23/h3-6,9-10H,7-8,11-13H2,1-2H3