2,2-dimethyl-7-(4-pyridin-3-ylcarbonylphenyl)heptanal

Systemtic Name: 2,2-dimethyl-7-(4-pyridin-3-ylcarbonylphenyl)heptanal Openeye Name: 2,2-dimethyl-7-[4-(pyridine-3-carbonyl)phenyl]heptanal CAS Name: 2,2-dimethyl-7-[4-[oxo(3-pyridinyl)methyl]phenyl]heptanal IUPAC Name: 2,2-dimethyl-7-[4-(pyridine-3-carbonyl)phenyl]heptanal Traditional Name: 2,2-dimethyl-7-(4-nicotinoylphenyl)enanthaldehyde Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCC1=CC=C(C=C1)C(=O)C2=CN=CC=C2)C=O

Isomeric SMILES

CC(C)(CCCCCC1=CC=C(C=C1)C(=O)C2=CN=CC=C2)C=O

InChI

InChI=1S/C21H25NO2/c1-21(2,16-23)13-5-3-4-7-17-9-11-18(12-10-17)20(24)19-8-6-14-22-15-19/h6,8-12,14-16H,3-5,7,13H2,1-2H3