6-oxidanylidene-7-[(2-phenoxypyrimidin-4-yl)carbonylamino]-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-7-[(2-phenoxypyrimidin-4-yl)carbonylamino]-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid Openeye Name: 6-oxo-7-[(2-phenoxypyrimidine-4-carbonyl)amino]-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid CAS Name: 6-oxo-7-[[oxo-(2-phenoxy-4-pyrimidinyl)methyl]amino]-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid IUPAC Name: 6-oxo-7-[(2-phenoxypyrimidine-4-carbonyl)amino]-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid Traditional Name: 6-keto-7-[(2-phenoxypyrimidine-4-carbonyl)amino]-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazin[4,3-a]azocine-4-carboxylic acid Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)N2C(C1)COCC2C(=O)O)NC(=O)C3=NC(=NC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(C(=O)N2C(C1)COCC2C(=O)O)NC(=O)C3=NC(=NC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O6/c27-19(16-10-11-23-22(25-16)32-15-7-2-1-3-8-15)24-17-9-5-4-6-14-12-31-13-18(21(29)30)26(14)20(17)28/h1-3,7-8,10-11,14,17-18H,4-6,9,12-13H2,(H,24,27)(H,29,30)