7-[4-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]butyl]-4-methyl-1,4-benzoxazin-3-one

Systemtic Name: 7-[4-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]butyl]-4-methyl-1,4-benzoxazin-3-one Openeye Name: 7-[4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]butyl]-4-methyl-1,4-benzoxazin-3-one CAS Name: 7-[4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]butyl]-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 7-[4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]butyl]-4-methyl-1,4-benzoxazin-3-one Traditional Name: 7-[4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]butyl]-4-methyl-1,4-benzoxazin-3-one Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=CC(=C2)CCCCNCC(C3=CC(=CC=C3)O)O

Isomeric SMILES

CN1C(=O)COC2=C1C=CC(=C2)CCCCNCC(C3=CC(=CC=C3)O)O

InChI

InChI=1S/C21H26N2O4/c1-23-18-9-8-15(11-20(18)27-14-21(23)26)5-2-3-10-22-13-19(25)16-6-4-7-17(24)12-16/h4,6-9,11-12,19,22,24-25H,2-3,5,10,13-14H2,1H3