2-[[1-cyclohexyl-5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-cyclohexyl-5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]carbamoyl]benzoic acid Openeye Name: 2-[(1-cyclohexyl-5-ethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)carbamoyl]benzoic acid CAS Name: 2-[[(1-cyclohexyl-5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(1-cyclohexyl-5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)carbamoyl]benzoic acid Traditional Name: 2-[(1-cyclohexyl-5-ethyl-2,4,6-triketo-hexahydropyrimidin-5-yl)carbamoyl]benzoic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H23N3O6/c1-2-20(22-15(24)13-10-6-7-11-14(13)16(25)26)17(27)21-19(29)23(18(20)28)12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,22,24)(H,25,26)(H,21,27,29)