(E)-N,6,6-trimethyl-N-[(4-methyl-3-phenylmethoxy-phenyl)methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N,6,6-trimethyl-N-[(4-methyl-3-phenylmethoxy-phenyl)methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(3-benzyloxy-4-methyl-phenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N,6,6-trimethyl-N-[(4-methyl-3-phenylmethoxyphenyl)methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N,6,6-trimethyl-N-[(4-methyl-3-phenylmethoxyphenyl)methyl]hept-2-en-4-yn-1-amine Traditional Name: (3-benzoxy-4-methyl-benzyl)-[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C25H31NO MolecularWeight: 361.51974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO/c1-21-14-15-23(18-24(21)27-20-22-12-8-6-9-13-22)19-26(5)17-11-7-10-16-25(2,3)4/h6-9,11-15,18H,17,19-20H2,1-5H3/b11-7+