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

Systemtic Name: 8-[2-[4-[4-(3-methoxyphenoxy)butoxy]phenyl]ethyl]-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-[4-[4-(3-methoxyphenoxy)butoxy]phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[2-[4-[4-(3-methoxyphenoxy)butoxy]phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[2-[4-[4-(3-methoxyphenoxy)butoxy]phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[2-[4-[4-(3-methoxyphenoxy)butoxy]phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C32H37NO8 MolecularWeight: 563.63808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCCCOC2=CC=C(C=C2)CCC3=C4C(=CC=C3)N(CC(O4)C(=O)O)CCCC(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)OCCCCOC2=CC=C(C=C2)CCC3=C4C(=CC=C3)N(CC(O4)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C32H37NO8/c1-38-26-8-5-9-27(21-26)40-20-3-2-19-39-25-16-13-23(14-17-25)12-15-24-7-4-10-28-31(24)41-29(32(36)37)22-33(28)18-6-11-30(34)35/h4-5,7-10,13-14,16-17,21,29H,2-3,6,11-12,15,18-20,22H2,1H3,(H,34,35)(H,36,37)