4-[(E)-1-(4-iodophenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-en-2-yl]aniline

Systemtic Name: 4-[(E)-1-(4-iodophenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-en-2-yl]aniline Openeye Name: 4-[(1E)-1-[(4-iodophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylene]propyl]aniline CAS Name: 4-[(E)-1-(4-iodophenyl)-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]but-1-en-2-yl]aniline IUPAC Name: 4-[(E)-1-(4-iodophenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-en-2-yl]aniline Traditional Name: [4-[(E)-1-ethyl-2-(4-iodophenyl)-2-[4-(2-pyrrolidinoethoxy)phenyl]vinyl]phenyl]amine Formula: C28H31IN2O MolecularWeight: 538.46301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)N

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCN2CCCC2)\C3=CC=C(C=C3)I)/C4=CC=C(C=C4)N

InChI

InChI=1S/C28H31IN2O/c1-2-27(21-7-13-25(30)14-8-21)28(22-5-11-24(29)12-6-22)23-9-15-26(16-10-23)32-20-19-31-17-3-4-18-31/h5-16H,2-4,17-20,30H2,1H3/b28-27-