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

Systemtic Name: [2-[(2E,5E)-3,7-dimethyl-7-oxidanyl-octa-2,5-dienyl]-5-methyl-6-oxidanylidene-3-propyl-1H-pyridin-4-yl] ethanoate Openeye Name: [2-[(2E,5E)-7-hydroxy-3,7-dimethyl-octa-2,5-dienyl]-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] acetate CAS Name: acetic acid [2-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] ester IUPAC Name: [2-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] acetate Traditional Name: acetic acid [2-[(2E,5E)-7-hydroxy-3,7-dimethyl-octa-2,5-dienyl]-6-keto-5-methyl-3-propyl-1H-pyridin-4-yl] ester Formula: C21H31NO4 MolecularWeight: 361.47514

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-7-9-17-18(12-11-14(2)10-8-13-21(5,6)25)22-20(24)15(3)19(17)26-16(4)23/h8,11,13,25H,7,9-10,12H2,1-6H3,(H,22,24)/b13-8+,14-11+