tert-butyl 2-(3-oxidanylidene-6-phenylmethoxy-1,4-dihydroisoquinolin-2-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-oxidanylidene-6-phenylmethoxy-1,4-dihydroisoquinolin-2-yl)ethanoate Openeye Name: tert-butyl 2-(6-benzyloxy-3-oxo-1,4-dihydroisoquinolin-2-yl)acetate CAS Name: 2-(3-oxo-6-phenylmethoxy-1,4-dihydroisoquinolin-2-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-oxo-6-phenylmethoxy-1,4-dihydroisoquinolin-2-yl)acetate Traditional Name: 2-(6-benzoxy-3-keto-1,4-dihydroisoquinolin-2-yl)acetic acid tert-butyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC2=C(CC1=O)C=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC2=C(CC1=O)C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-22(2,3)27-21(25)14-23-13-17-9-10-19(11-18(17)12-20(23)24)26-15-16-7-5-4-6-8-16/h4-11H,12-15H2,1-3H3