4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzaldehyde

Systemtic Name: 4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzaldehyde Openeye Name: 4-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]benzaldehyde CAS Name: 4-[1-(1-azepanyl)-1-oxopropan-2-yl]oxybenzaldehyde IUPAC Name: 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzaldehyde Traditional Name: 4-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]benzaldehyde Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=CC=C(C=C2)C=O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C16H21NO3/c1-13(16(19)17-10-4-2-3-5-11-17)20-15-8-6-14(12-18)7-9-15/h6-9,12-13H,2-5,10-11H2,1H3