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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)OC3=CC=C(C=C3)C#N

InChI

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