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

Systemtic Name: 8-[[4-[4-(4-methoxyphenyl)butoxy]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-[[4-[4-(4-methoxyphenyl)butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[[4-[4-(4-methoxyphenyl)butoxy]phenyl]-oxomethyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[[4-[4-(4-methoxyphenyl)butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[[4-[4-(4-methoxyphenyl)butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H34N2O8 MolecularWeight: 562.61026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

InChI

InChI=1S/C31H34N2O8/c1-39-23-14-10-21(11-15-23)6-2-3-19-40-24-16-12-22(13-17-24)30(36)32-25-7-4-8-26-29(25)41-27(31(37)38)20-33(26)18-5-9-28(34)35/h4,7-8,10-17,27H,2-3,5-6,9,18-20H2,1H3,(H,32,36)(H,34,35)(H,37,38)