6-[4-[(E)-4-chloranyl-1,2-diphenyl-but-1-enyl]phenoxy]hex-1-yn-3-amine

Systemtic Name: 6-[4-[(E)-4-chloranyl-1,2-diphenyl-but-1-enyl]phenoxy]hex-1-yn-3-amine Openeye Name: 6-[4-[(E)-4-chloro-1,2-diphenyl-but-1-enyl]phenoxy]hex-1-yn-3-amine CAS Name: 6-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-1-hexyn-3-amine IUPAC Name: 6-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]hex-1-yn-3-amine Traditional Name: 1-[3-[4-[(E)-4-chloro-1,2-diphenyl-but-1-enyl]phenoxy]propyl]prop-2-ynylamine Formula: C28H28ClNO MolecularWeight: 429.98102

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CCCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

C#CC(CCCOC1=CC=C(C=C1)/C(=C(\CCCl)/C2=CC=CC=C2)/C3=CC=CC=C3)N

InChI

InChI=1S/C28H28ClNO/c1-2-25(30)14-9-21-31-26-17-15-24(16-18-26)28(23-12-7-4-8-13-23)27(19-20-29)22-10-5-3-6-11-22/h1,3-8,10-13,15-18,25H,9,14,19-21,30H2/b28-27+