ethanoic acid; 4-hexyl-2-(2-phenoxyethyl)-1,4-benzoxazin-3-one

Systemtic Name: ethanoic acid; 4-hexyl-2-(2-phenoxyethyl)-1,4-benzoxazin-3-one Openeye Name: acetic acid; 4-hexyl-2-(2-phenoxyethyl)-1,4-benzoxazin-3-one CAS Name: acetic acid; 4-hexyl-2-(2-phenoxyethyl)-1,4-benzoxazin-3-one IUPAC Name: acetic acid; 4-hexyl-2-(2-phenoxyethyl)-1,4-benzoxazin-3-one Traditional Name: acetic acid; 4-hexyl-2-(2-phenoxyethyl)-1,4-benzoxazin-3-one Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3.CC(=O)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3.CC(=O)O

InChI

InChI=1S/C22H27NO3.C2H4O2/c1-2-3-4-10-16-23-19-13-8-9-14-20(19)26-21(22(23)24)15-17-25-18-11-6-5-7-12-18;1-2(3)4/h5-9,11-14,21H,2-4,10,15-17H2,1H3;1H3,(H,3,4)