butyl 4-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-keto-2H-isoquinoline-3-carbonyl)amino]benzoic acid butyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H20N2O4/c1-2-3-12-27-21(26)14-8-10-16(11-9-14)22-20(25)18-13-15-6-4-5-7-17(15)19(24)23-18/h4-11,13H,2-3,12H2,1H3,(H,22,25)(H,23,24)