4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(4-pentylphenyl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(4-pentylphenyl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(4-pentylbenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo-(4-pentylphenyl)methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(4-pentylbenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[(4-amylbenzoyl)amino]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(CN3CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(CN3CCCC(=O)O)C(=O)O

InChI

InChI=1S/C25H30N2O6/c1-2-3-4-7-17-11-13-18(14-12-17)24(30)26-19-8-5-9-20-23(19)33-21(25(31)32)16-27(20)15-6-10-22(28)29/h5,8-9,11-14,21H,2-4,6-7,10,15-16H2,1H3,(H,26,30)(H,28,29)(H,31,32)