4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-[(3-thiophen-3-ylphenyl)methoxy]phenol

Systemtic Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-[(3-thiophen-3-ylphenyl)methoxy]phenol Openeye Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-[[3-(3-thienyl)phenyl]methoxy]phenol CAS Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-2-[[3-(3-thiophenyl)phenyl]methoxy]phenol IUPAC Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-2-[(3-thiophen-3-ylphenyl)methoxy]phenol Traditional Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-2-[3-(3-thienyl)benzyl]oxy-phenol Formula: C28H31NO2S MolecularWeight: 445.61624

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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)C3=CSC=C3

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC(=C(C=C1)O)OCC2=CC=CC(=C2)C3=CSC=C3

InChI

InChI=1S/C28H31NO2S/c1-28(2,3)14-6-5-7-15-29(4)19-22-11-12-26(30)27(18-22)31-20-23-9-8-10-24(17-23)25-13-16-32-21-25/h5,7-13,16-18,21,30H,15,19-20H2,1-4H3/b7-5+