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

Systemtic Name: (E)-N-butyl-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(3-benzyloxyphenyl)methyl]-N-butyl-6,6-dimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-butyl-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-butyl-6,6-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine Traditional Name: (3-benzoxybenzyl)-butyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]amine Formula: C27H35NO MolecularWeight: 389.5729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO/c1-5-6-19-28(20-12-8-11-18-27(2,3)4)22-25-16-13-17-26(21-25)29-23-24-14-9-7-10-15-24/h7-10,12-17,21H,5-6,19-20,22-23H2,1-4H3/b12-8+