3-[4-(azepan-1-ylcarbonyl)phenoxy]propanal

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)phenoxy]propanal Openeye Name: 3-[4-(azepane-1-carbonyl)phenoxy]propanal CAS Name: 3-[4-[1-azepanyl(oxo)methyl]phenoxy]propanal IUPAC Name: 3-[4-(azepane-1-carbonyl)phenoxy]propanal Traditional Name: 3-[4-(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=C(C=C2)OCCC=O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c18-12-5-13-20-15-8-6-14(7-9-15)16(19)17-10-3-1-2-4-11-17/h6-9,12H,1-5,10-11,13H2