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

Systemtic Name: 8-[[2-methyl-4-(4-phenylbutoxy)phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[[2-methyl-4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[[2-methyl-4-(4-phenylbutoxy)phenyl]-oxomethyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[[2-methyl-4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[[2-methyl-4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H34N2O7 MolecularWeight: 546.61086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCC2=CC=CC=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCC2=CC=CC=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

InChI

InChI=1S/C31H34N2O7/c1-21-19-23(39-18-6-5-11-22-9-3-2-4-10-22)15-16-24(21)30(36)32-25-12-7-13-26-29(25)40-27(31(37)38)20-33(26)17-8-14-28(34)35/h2-4,7,9-10,12-13,15-16,19,27H,5-6,8,11,14,17-18,20H2,1H3,(H,32,36)(H,34,35)(H,37,38)