4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(1-phenyl-5-propyl-pyrazol-4-yl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(1-phenyl-5-propyl-pyrazol-4-yl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(1-phenyl-5-propyl-pyrazole-4-carbonyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[(1-phenyl-5-propyl-pyrazole-4-carbonyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

InChI

InChI=1S/C26H28N4O6/c1-2-8-20-18(15-27-30(20)17-9-4-3-5-10-17)25(33)28-19-11-6-12-21-24(19)36-22(26(34)35)16-29(21)14-7-13-23(31)32/h3-6,9-12,15,22H,2,7-8,13-14,16H2,1H3,(H,28,33)(H,31,32)(H,34,35)