8-[[2,6-dimethyl-4-(4-phenylbutoxy)phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-[[2,6-dimethyl-4-(4-phenylbutoxy)phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[[2,6-dimethyl-4-(4-phenylbutoxy)benzoyl]amino]-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[[[2,6-dimethyl-4-(4-phenylbutoxy)phenyl]-oxomethyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[[2,6-dimethyl-4-(4-phenylbutoxy)benzoyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[[2,6-dimethyl-4-(4-phenylbutoxy)benzoyl]amino]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C32H36N2O7 MolecularWeight: 560.63744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)NC2=CC=CC3=C2OC(CN3CCCC(=O)O)C(=O)O)C)OCCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)NC2=CC=CC3=C2OC(CN3CCCC(=O)O)C(=O)O)C)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C32H36N2O7/c1-21-18-24(40-17-7-6-12-23-10-4-3-5-11-23)19-22(2)29(21)31(37)33-25-13-8-14-26-30(25)41-27(32(38)39)20-34(26)16-9-15-28(35)36/h3-5,8,10-11,13-14,18-19,27H,6-7,9,12,15-17,20H2,1-2H3,(H,33,37)(H,35,36)(H,38,39)