butyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(piperonylamino)acetyl]amino]benzoic acid butyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O6/c1-2-3-10-27-21(26)15-5-7-16(8-6-15)23-20(25)19(24)22-12-14-4-9-17-18(11-14)29-13-28-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,24)(H,23,25)