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

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(4-phenethyloxyphenyl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(4-phenethyloxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo-(4-phenethyloxyphenyl)methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(4-phenethyloxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[(4-phenethyloxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28N2O7/c31-25(32)10-5-16-30-18-24(28(34)35)37-26-22(8-4-9-23(26)30)29-27(33)20-11-13-21(14-12-20)36-17-15-19-6-2-1-3-7-19/h1-4,6-9,11-14,24H,5,10,15-18H2,(H,29,33)(H,31,32)(H,34,35)