3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzaldehyde

Systemtic Name: 3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzaldehyde Openeye Name: 3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]benzaldehyde CAS Name: 3-[1-(1-azepanyl)-1-oxopropan-2-yl]oxybenzaldehyde IUPAC Name: 3-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzaldehyde Traditional Name: 3-[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=CC(=C2)C=O

Isomeric SMILES

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

InChI

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