4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-phenylmethoxy-phenol hydrochloride

Systemtic Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-phenylmethoxy-phenol hydrochloride Openeye Name: 2-benzyloxy-4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]phenol hydrochloride CAS Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-2-phenylmethoxyphenol hydrochloride IUPAC Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-2-phenylmethoxyphenol hydrochloride Traditional Name: 2-benzoxy-4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]phenol hydrochloride Formula: C24H30ClNO2 MolecularWeight: 399.9535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC(=C(C=C1)O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC(=C(C=C1)O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C24H29NO2.ClH/c1-24(2,3)15-9-6-10-16-25(4)18-21-13-14-22(26)23(17-21)27-19-20-11-7-5-8-12-20;/h5-8,10-14,17,26H,16,18-19H2,1-4H3;1H/b10-6+;