tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[6-[(4-cyanophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[6-(4-cyanobenzyl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c1-23(2,3)28-22(26)15-25-11-10-19-12-21(9-8-20(19)14-25)27-16-18-6-4-17(13-24)5-7-18/h4-9,12H,10-11,14-16H2,1-3H3