[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C21H22ClNO4/c1-14-11-18(7-8-19(14)22)26-13-20(24)27-15(2)21(25)23-10-9-16-5-3-4-6-17(16)12-23/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m1/s1