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

Systemtic Name: N-[2-[4-[(E)-4-chloranyl-1,2-diphenyl-but-1-enyl]phenoxy]ethyl]but-3-yn-2-amine Openeye Name: N-[2-[4-[(E)-4-chloro-1,2-diphenyl-but-1-enyl]phenoxy]ethyl]but-3-yn-2-amine CAS Name: N-[2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-3-butyn-2-amine IUPAC Name: N-[2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethyl]but-3-yn-2-amine Traditional Name: 2-[4-[(E)-4-chloro-1,2-diphenyl-but-1-enyl]phenoxy]ethyl-(1-methylprop-2-ynyl)amine Formula: C28H28ClNO MolecularWeight: 429.98102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NCCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C#C)NCCOC1=CC=C(C=C1)/C(=C(\CCCl)/C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C28H28ClNO/c1-3-22(2)30-20-21-31-26-16-14-25(15-17-26)28(24-12-8-5-9-13-24)27(18-19-29)23-10-6-4-7-11-23/h1,4-17,22,30H,18-21H2,2H3/b28-27+