2-(aminomethyl)-3-[4-[3-[2-chloranyl-3,6-bis(fluoranyl)phenoxy]propyl]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)phenyl]methyl]propanamide

Systemtic Name: 2-(aminomethyl)-3-[4-[3-[2-chloranyl-3,6-bis(fluoranyl)phenoxy]propyl]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)phenyl]methyl]propanamide Openeye Name: 2-(aminomethyl)-3-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)phenyl]methyl]propanamide CAS Name: 2-(aminomethyl)-3-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)phenyl]methyl]propanamide IUPAC Name: 2-(aminomethyl)-3-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)phenyl]methyl]propanamide Traditional Name: 2-(aminomethyl)-3-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-N-cyclopropyl-N-[3-(3-methoxypropyl)benzyl]propionamide Formula: C33H39ClF2N2O3 MolecularWeight: 585.124166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCC1=CC(=CC=C1)CN(C2CC2)C(=O)C(CC3=CC=C(C=C3)CCCOC4=C(C=CC(=C4Cl)F)F)CN

Isomeric SMILES

COCCCC1=CC(=CC=C1)CN(C2CC2)C(=O)C(CC3=CC=C(C=C3)CCCOC4=C(C=CC(=C4Cl)F)F)CN

InChI

InChI=1S/C33H39ClF2N2O3/c1-40-17-3-8-24-5-2-6-26(19-24)22-38(28-13-14-28)33(39)27(21-37)20-25-11-9-23(10-12-25)7-4-18-41-32-30(36)16-15-29(35)31(32)34/h2,5-6,9-12,15-16,19,27-28H,3-4,7-8,13-14,17-18,20-22,37H2,1H3