tert-butyl 2-[7-[(4-cyanophenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-[(4-cyanophenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[7-[(4-cyanophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[7-[(4-cyanophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-[(4-cyanophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[7-(4-cyanobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

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