3-[3-(azepan-1-ylcarbonyl)phenoxy]propanal

Systemtic Name: 3-[3-(azepan-1-ylcarbonyl)phenoxy]propanal Openeye Name: 3-[3-(azepane-1-carbonyl)phenoxy]propanal CAS Name: 3-[3-[1-azepanyl(oxo)methyl]phenoxy]propanal IUPAC Name: 3-[3-(azepane-1-carbonyl)phenoxy]propanal Traditional Name: 3-[3-(azepane-1-carbonyl)phenoxy]propionaldehyde Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)OCCC=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)OCCC=O

InChI

InChI=1S/C16H21NO3/c18-11-6-12-20-15-8-5-7-14(13-15)16(19)17-9-3-1-2-4-10-17/h5,7-8,11,13H,1-4,6,9-10,12H2