butyl 4-(aminocarbonylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylamino)benzoate

Systemtic Name: butyl 4-(aminocarbonylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylamino)benzoate Openeye Name: butyl 4-(allophanoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylamino)benzoate CAS Name: 4-[[[[[[[[[[[[[[[[[[[[(carbamoylamino)-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(carbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylamino)benzoate Traditional Name: 4-(allophanoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylcarbamoylamino)benzoic acid butyl ester Formula: C22H26N12O13 MolecularWeight: 666.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)NC(=O)N

InChI

InChI=1S/C22H26N12O13/c1-2-3-8-47-11(35)9-4-6-10(7-5-9)24-13(37)26-15(39)28-17(41)30-19(43)32-21(45)34-22(46)33-20(44)31-18(42)29-16(40)27-14(38)25-12(23)36/h4-7H,2-3,8H2,1H3,(H13,23,24,25,26,27,28,29,30,31,32,33,34,36,37,38,39,40,41,42,43,44,45,46)