(E)-6,6-dimethyl-N-pentyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-6,6-dimethyl-N-pentyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(3-benzyloxyphenyl)methyl]-6,6-dimethyl-N-pentyl-hept-2-en-4-yn-1-amine CAS Name: (E)-6,6-dimethyl-N-pentyl-N-[(3-phenylmethoxyphenyl)methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-6,6-dimethyl-N-pentyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine Traditional Name: amyl-(3-benzoxybenzyl)-[(E)-6,6-dimethylhept-2-en-4-ynyl]amine Formula: C28H37NO MolecularWeight: 403.59948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C28H37NO/c1-5-6-12-20-29(21-13-8-11-19-28(2,3)4)23-26-17-14-18-27(22-26)30-24-25-15-9-7-10-16-25/h7-10,13-18,22H,5-6,12,20-21,23-24H2,1-4H3/b13-8+