N-[[4-[[2-[4-[2-(4-chlorophenyl)ethynyl]-2-methyl-phenoxy]ethylamino]methyl]phenyl]methyl]propan-1-amine

Systemtic Name: N-[[4-[[2-[4-[2-(4-chlorophenyl)ethynyl]-2-methyl-phenoxy]ethylamino]methyl]phenyl]methyl]propan-1-amine Openeye Name: N-[[4-[[2-[4-[2-(4-chlorophenyl)ethynyl]-2-methyl-phenoxy]ethylamino]methyl]phenyl]methyl]propan-1-amine CAS Name: N-[[4-[[2-[4-[2-(4-chlorophenyl)ethynyl]-2-methylphenoxy]ethylamino]methyl]phenyl]methyl]-1-propanamine IUPAC Name: N-[[4-[[2-[4-[2-(4-chlorophenyl)ethynyl]-2-methylphenoxy]ethylamino]methyl]phenyl]methyl]propan-1-amine Traditional Name: 2-[4-[2-(4-chlorophenyl)ethynyl]-2-methyl-phenoxy]ethyl-[4-(propylaminomethyl)benzyl]amine Formula: C28H31ClN2O MolecularWeight: 447.01154

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC=C(C=C1)CNCCOC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCNCC1=CC=C(C=C1)CNCCOC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C28H31ClN2O/c1-3-16-30-20-25-6-8-26(9-7-25)21-31-17-18-32-28-15-12-24(19-22(28)2)5-4-23-10-13-27(29)14-11-23/h6-15,19,30-31H,3,16-18,20-21H2,1-2H3