N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-[(3-phenylmethoxyphenyl)methyl]cyclopropanamine

Systemtic Name: N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-[(3-phenylmethoxyphenyl)methyl]cyclopropanamine Openeye Name: N-[(3-benzyloxyphenyl)methyl]-N-[(E)-6,6-dimethylhept-2-en-4-ynyl]cyclopropanamine CAS Name: N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-[(3-phenylmethoxyphenyl)methyl]cyclopropanamine IUPAC Name: N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-[(3-phenylmethoxyphenyl)methyl]cyclopropanamine Traditional Name: (3-benzoxybenzyl)-cyclopropyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]amine Formula: C26H31NO MolecularWeight: 373.53044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C26H31NO/c1-26(2,3)17-8-5-9-18-27(24-15-16-24)20-23-13-10-14-25(19-23)28-21-22-11-6-4-7-12-22/h4-7,9-14,19,24H,15-16,18,20-21H2,1-3H3/b9-5+