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

Systemtic Name: tert-butyl 2-[6-[2-(4-cyanophenyl)ethoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[2-(4-cyanophenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[2-(4-cyanophenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[2-(4-cyanophenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-[2-(4-cyanophenyl)ethoxy]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H26N2O4/c1-24(2,3)30-22(27)16-26-12-10-19-14-20(8-9-21(19)23(26)28)29-13-11-17-4-6-18(15-25)7-5-17/h4-9,14H,10-13,16H2,1-3H3