2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide

Systemtic Name: 2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide Openeye Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-(3-pyridylmethoxy)phenyl]methyl]propanamide CAS Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-(3-pyridinylmethoxy)phenyl]methyl]propanamide IUPAC Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide Traditional Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[3-(3-methoxypropyl)-5-(3-pyridylmethoxy)benzyl]propionamide Formula: C39H45Cl2N3O5 MolecularWeight: 706.6977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCC4=CN=CC=C4)C5CC5)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCC4=CN=CC=C4)C5CC5)Cl

InChI

InChI=1S/C39H45Cl2N3O5/c1-27-17-36(40)38(37(41)18-27)48-16-15-47-34-11-7-28(8-12-34)20-32(23-42)39(45)44(33-9-10-33)25-31-19-29(6-4-14-46-2)21-35(22-31)49-26-30-5-3-13-43-24-30/h3,5,7-8,11-13,17-19,21-22,24,32-33H,4,6,9-10,14-16,20,23,25-26,42H2,1-2H3