ethyl 5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]isoxazole-3-carboxylate CAS Name: 5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]isoxazole-3-carboxylic acid ethyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=NO1)C(=O)OCC

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=NO1)C(=O)OCC

InChI

InChI=1S/C18H26N2O3/c1-6-20(12-10-8-9-11-18(3,4)5)14-15-13-16(19-23-15)17(21)22-7-2/h8,10,13H,6-7,12,14H2,1-5H3/b10-8+