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

Systemtic Name: (phenylmethyl) 3-[(1R)-1-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate Openeye Name: benzyl 3-[(1R)-1-(2-methoxy-2-oxo-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate CAS Name: 3-[(1R)-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(1R)-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate Traditional Name: 3-[(1R)-1-(2-keto-2-methoxy-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid benzyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C2=CC=CC=C2CCN1CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@@H]1C2=CC=CC=C2CCN1CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-26-22(25)15-20-19-10-6-5-9-18(19)11-13-23(20)14-12-21(24)27-16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3/t20-/m1/s1