4-(4-oxidanyl-4-oxidanylidene-butyl)-7-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-7-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-7-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-7-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-7-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-7-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C30H32N2O7 MolecularWeight: 532.58428

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H32N2O7/c33-28(34)10-6-17-32-20-27(30(36)37)39-26-19-23(13-16-25(26)32)31-29(35)22-11-14-24(15-12-22)38-18-5-4-9-21-7-2-1-3-8-21/h1-3,7-8,11-16,19,27H,4-6,9-10,17-18,20H2,(H,31,35)(H,33,34)(H,36,37)