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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=CC=C3OCCCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=CC=C3OCCCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H36N2O7/c35-29(36)19-11-20-34-22-28(32(38)39)41-30-25(16-10-17-26(30)34)33-31(37)24-15-7-8-18-27(24)40-21-9-2-1-4-12-23-13-5-3-6-14-23/h3,5-8,10,13-18,28H,1-2,4,9,11-12,19-22H2,(H,33,37)(H,35,36)(H,38,39)