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

Systemtic Name: tert-butyl 2-[6-[(4-cyanophenyl)carbamoyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(4-cyanophenyl)carbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[(4-cyanoanilino)-oxomethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(4-cyanophenyl)carbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-[(4-cyanophenyl)carbamoyl]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H23N3O4/c1-23(2,3)30-20(27)14-26-11-10-16-12-17(6-9-19(16)22(26)29)21(28)25-18-7-4-15(13-24)5-8-18/h4-9,12H,10-11,14H2,1-3H3,(H,25,28)