1-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propan-2-yl-amino]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propan-2-yl-amino]methyl]phenyl]ethanone Openeye Name: 1-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-isopropyl-amino]methyl]phenyl]ethanone CAS Name: 1-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propan-2-ylamino]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propan-2-ylamino]methyl]phenyl]ethanone Traditional Name: 1-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-isopropyl-amino]methyl]phenyl]ethanone Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO/c1-17(2)22(14-9-7-8-13-21(4,5)6)16-19-11-10-12-20(15-19)18(3)23/h7,9-12,15,17H,14,16H2,1-6H3/b9-7+