N-(2-bromoethyl)-2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N-methyl-ethanamine

Systemtic Name: N-(2-bromoethyl)-2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N-methyl-ethanamine Openeye Name: N-(2-bromoethyl)-2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N-methyl-ethanamine CAS Name: N-(2-bromoethyl)-2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine IUPAC Name: N-(2-bromoethyl)-2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine Traditional Name: 2-bromoethyl-[2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-methyl-amine Formula: C27H30BrNO MolecularWeight: 464.4372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)CCBr)C3=CC=CC=C3

Isomeric SMILES

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)CCBr)/C3=CC=CC=C3

InChI

InChI=1S/C27H30BrNO/c1-3-26(22-10-6-4-7-11-22)27(23-12-8-5-9-13-23)24-14-16-25(17-15-24)30-21-20-29(2)19-18-28/h4-17H,3,18-21H2,1-2H3/b27-26+