tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[(4-cyanophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-(4-cyanobenzyl)oxy-3-keto-1,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-23(2,3)29-22(27)14-25-13-18-8-9-20(10-19(18)11-21(25)26)28-15-17-6-4-16(12-24)5-7-17/h4-10H,11,13-15H2,1-3H3