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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO/c1-23(2)20-28(18-11-7-10-17-27(3,4)5)21-25-15-12-16-26(19-25)29-22-24-13-8-6-9-14-24/h6-9,11-16,19,23H,18,20-22H2,1-5H3/b11-7+