4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-methoxy-benzaldehyde CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-methoxy-benzaldehyde Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO4/c1-20-15-10-13(11-18)6-7-14(15)21-12-16(19)17-8-4-2-3-5-9-17/h6-7,10-11H,2-5,8-9,12H2,1H3