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

Systemtic Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-1-oxidanylidene-isoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-1-oxo-2-isoquinolyl]acetate CAS Name: 2-[6-[(4-cyanophenyl)methoxy]-1-oxo-2-isoquinolinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(4-cyanophenyl)methoxy]-1-oxoisoquinolin-2-yl]acetate Traditional Name: 2-[6-(4-cyanobenzyl)oxy-1-keto-2-isoquinolyl]acetic acid tert-butyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=CC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=CC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H22N2O4/c1-23(2,3)29-21(26)14-25-11-10-18-12-19(8-9-20(18)22(25)27)28-15-17-6-4-16(13-24)5-7-17/h4-12H,14-15H2,1-3H3