butyl 4-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-keto-2-isoquinolyl)acetyl]amino]benzoic acid butyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O4/c1-2-3-14-28-22(27)17-8-10-18(11-9-17)23-20(25)15-24-13-12-16-6-4-5-7-19(16)21(24)26/h4-13H,2-3,14-15H2,1H3,(H,23,25)