(5E,9Z)-4,10-dimethyl-3-(pyridin-4-ylmethoxycarbonyl)dodeca-5,9-dienoic acid

Systemtic Name: (5E,9Z)-4,10-dimethyl-3-(pyridin-4-ylmethoxycarbonyl)dodeca-5,9-dienoic acid Openeye Name: (5E,9Z)-4,10-dimethyl-3-(4-pyridylmethoxycarbonyl)dodeca-5,9-dienoic acid CAS Name: (5E,9Z)-4,10-dimethyl-3-[oxo(pyridin-4-ylmethoxy)methyl]dodeca-5,9-dienoic acid IUPAC Name: (5E,9Z)-4,10-dimethyl-3-(pyridin-4-ylmethoxycarbonyl)dodeca-5,9-dienoic acid Traditional Name: (5E,9Z)-4,10-dimethyl-3-(4-pyridylmethoxycarbonyl)dodeca-5,9-dienoic acid Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCC=CC(C)C(CC(=O)O)C(=O)OCC1=CC=NC=C1)C

Isomeric SMILES

CC/C(=C\CC/C=C/C(C)C(CC(=O)O)C(=O)OCC1=CC=NC=C1)/C

InChI

InChI=1S/C21H29NO4/c1-4-16(2)8-6-5-7-9-17(3)19(14-20(23)24)21(25)26-15-18-10-12-22-13-11-18/h7-13,17,19H,4-6,14-15H2,1-3H3,(H,23,24)/b9-7+,16-8-