2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]acetic acid Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC=CC(=C1)CC(=O)O

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC=CC(=C1)CC(=O)O

InChI

InChI=1S/C20H27NO2/c1-5-21(13-8-6-7-12-20(2,3)4)16-18-11-9-10-17(14-18)15-19(22)23/h6,8-11,14H,5,13,15-16H2,1-4H3,(H,22,23)/b8-6+