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

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)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-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N2O4/c1-15(21(25)23-11-10-17-4-2-3-5-18(17)13-23)27-20(24)14-26-19-8-6-16(12-22)7-9-19/h2-9,15H,10-11,13-14H2,1H3/t15-/m1/s1