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

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(4-pent-4-enoxyphenyl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(4-pent-4-enoxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo-(4-pent-4-enoxyphenyl)methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(4-pent-4-enoxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[(4-pent-4-enoxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(CN3CCCC(=O)O)C(=O)O

Isomeric SMILES

C=CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(CN3CCCC(=O)O)C(=O)O

InChI

InChI=1S/C25H28N2O7/c1-2-3-4-15-33-18-12-10-17(11-13-18)24(30)26-19-7-5-8-20-23(19)34-21(25(31)32)16-27(20)14-6-9-22(28)29/h2,5,7-8,10-13,21H,1,3-4,6,9,14-16H2,(H,26,30)(H,28,29)(H,31,32)