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

Systemtic Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]benzoic acid Openeye Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]benzoic acid CAS Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]benzoic acid IUPAC Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]benzoic acid Traditional Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]benzoic acid Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2/c1-5-20(13-8-6-7-12-19(2,3)4)15-16-10-9-11-17(14-16)18(21)22/h6,8-11,14H,5,13,15H2,1-4H3,(H,21,22)/b8-6+