[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N4O5 MolecularWeight: 350.36968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)CNC(=O)N

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)CNC(=O)N

InChI

InChI=1S/C16H22N4O5/c1-16(2,3)20-15(24)19-12(21)9-25-13(22)11-6-4-10(5-7-11)8-18-14(17)23/h4-7H,8-9H2,1-3H3,(H3,17,18,23)(H2,19,20,21,24)