butyl 4-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]benzoic acid butyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-2-3-12-29-22(28)15-8-10-17(11-9-15)23-19(25)14-24-20(26)13-16-6-4-5-7-18(16)21(24)27/h4-11H,2-3,12-14H2,1H3,(H,23,25)