ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 3-[[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidine-5-carbonyl]amino]benzoate Traditional Name: 3-[[4-methyl-2-(piperonylamino)pyrimidine-5-carbonyl]amino]benzoic acid ethyl ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N4O5/c1-3-30-22(29)16-5-4-6-17(10-16)27-21(28)18-12-25-23(26-14(18)2)24-11-15-7-8-19-20(9-15)32-13-31-19/h4-10,12H,3,11,13H2,1-2H3,(H,27,28)(H,24,25,26)