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

Systemtic Name: 4-(6-oxidanyl-6-oxidanylidene-hexyl)-8-[[4-(4-phenylbutoxy)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(6-hydroxy-6-oxo-hexyl)-8-[[4-(4-phenylbutoxy)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(6-hydroxy-6-oxohexyl)-8-[oxo-[4-(4-phenylbutoxy)anilino]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(6-hydroxy-6-oxohexyl)-8-[[4-(4-phenylbutoxy)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(6-hydroxy-6-keto-hexyl)-8-[[4-(4-phenylbutoxy)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C32H36N2O7 MolecularWeight: 560.63744

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C2N1CCCCCC(=O)O)C(=O)NC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(C=CC=C2N1CCCCCC(=O)O)C(=O)NC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H36N2O7/c35-29(36)15-5-2-7-20-34-22-28(32(38)39)41-30-26(13-9-14-27(30)34)31(37)33-24-16-18-25(19-17-24)40-21-8-6-12-23-10-3-1-4-11-23/h1,3-4,9-11,13-14,16-19,28H,2,5-8,12,15,20-22H2,(H,33,37)(H,35,36)(H,38,39)