1-[4-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(propoxymethyl)phenyl]ethanone

Systemtic Name: 1-[4-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(propoxymethyl)phenyl]ethanone Openeye Name: 1-[4-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(propoxymethyl)phenyl]ethanone CAS Name: 1-[4-[3-(1-azepanyl)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone IUPAC Name: 1-[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone Traditional Name: 1-[4-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(propoxymethyl)phenyl]ethanone Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CN2CCCCCC2)O

Isomeric SMILES

CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CN2CCCCCC2)O

InChI

InChI=1S/C21H33NO4/c1-3-12-25-15-19-13-18(17(2)23)8-9-21(19)26-16-20(24)14-22-10-6-4-5-7-11-22/h8-9,13,20,24H,3-7,10-12,14-16H2,1-2H3