(3S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidine-3-carbaldehyde

Systemtic Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidine-3-carbaldehyde Openeye Name: (3S)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidine-3-carbaldehyde CAS Name: (3S)-1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-3-piperidinecarboxaldehyde IUPAC Name: (3S)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidine-3-carbaldehyde Traditional Name: (3S)-1-homoveratroylnipecotaldehyde Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCC(C2)C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCC[C@@H](C2)C=O)OC

InChI

InChI=1S/C16H21NO4/c1-20-14-6-5-12(8-15(14)21-2)9-16(19)17-7-3-4-13(10-17)11-18/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3/t13-/m0/s1