[6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]methyl ethanoate

Systemtic Name: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]methyl ethanoate Openeye Name: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)-3-pyridyl]methyl acetate CAS Name: acetic acid [6-but-3-en-1-ynyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-pyridinyl]methyl ester IUPAC Name: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]methyl acetate Traditional Name: acetic acid [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)-3-pyridyl]methyl ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C2=C(C=NC(=C2)C#CC=C)COC(=O)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C2=C(C=NC(=C2)C#CC=C)COC(=O)C

InChI

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