3-[4-(3-oxidanylbutyl)phenoxy]azepan-2-one

Systemtic Name: 3-[4-(3-oxidanylbutyl)phenoxy]azepan-2-one Openeye Name: 3-[4-(3-hydroxybutyl)phenoxy]azepan-2-one CAS Name: 3-[4-(3-hydroxybutyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-(3-hydroxybutyl)phenoxy]azepan-2-one Traditional Name: 3-[4-(3-hydroxybutyl)phenoxy]azepan-2-one Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC2CCCCNC2=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC2CCCCNC2=O)O

InChI

InChI=1S/C16H23NO3/c1-12(18)5-6-13-7-9-14(10-8-13)20-15-4-2-3-11-17-16(15)19/h7-10,12,15,18H,2-6,11H2,1H3,(H,17,19)