1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-2-methyl-3-(3-methylphenyl)propan-2-ol

Systemtic Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-2-methyl-3-(3-methylphenyl)propan-2-ol Openeye Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-2-methyl-3-(m-tolyl)propan-2-ol CAS Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]-2-methyl-3-(3-methylphenyl)-2-propanol IUPAC Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]-2-methyl-3-(3-methylphenyl)propan-2-ol Traditional Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-2-methyl-3-(m-tolyl)propan-2-ol Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO/c1-18-11-10-12-19(15-18)16-21(5,23)17-22(6)14-9-7-8-13-20(2,3)4/h7,9-12,15,23H,14,16-17H2,1-6H3/b9-7+