ethyl 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-ethenyl-benzoate

Systemtic Name: ethyl 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-ethenyl-benzoate Openeye Name: ethyl 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-vinyl-benzoate CAS Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-2-ethenylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-2-ethenylbenzoate Traditional Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-vinyl-benzoic acid ethyl ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)CN(C)CC=CC#CC(C)(C)C)C=C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)CN(C)C/C=C/C#CC(C)(C)C)C=C

InChI

InChI=1S/C22H29NO2/c1-7-19-16-18(12-13-20(19)21(24)25-8-2)17-23(6)15-11-9-10-14-22(3,4)5/h7,9,11-13,16H,1,8,15,17H2,2-6H3/b11-9+