[2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-5-methyl-6-oxidanylidene-3-propyl-1H-pyridin-4-yl] ethanoate

Systemtic Name: [2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-5-methyl-6-oxidanylidene-3-propyl-1H-pyridin-4-yl] ethanoate Openeye Name: [2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] acetate CAS Name: acetic acid [2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] ester IUPAC Name: [2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] acetate Traditional Name: acetic acid [2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-6-keto-5-methyl-3-propyl-1H-pyridin-4-yl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=O)C(=C1OC(=O)C)C)CC=C(C)CC=CC(C)C

Isomeric SMILES

CCCC1=C(NC(=O)C(=C1OC(=O)C)C)C/C=C(\C)/C/C=C/C(C)C

InChI

InChI=1S/C21H31NO3/c1-7-9-18-19(13-12-15(4)11-8-10-14(2)3)22-21(24)16(5)20(18)25-17(6)23/h8,10,12,14H,7,9,11,13H2,1-6H3,(H,22,24)/b10-8+,15-12+