(3R,4S)-4-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[[1-(2H-1,2,3,4-tetrazol-5-ylmethyl)cyclopropyl]methoxy]phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: (3R,4S)-4-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[[1-(2H-1,2,3,4-tetrazol-5-ylmethyl)cyclopropyl]methoxy]phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3R,4S)-N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-[[1-(2H-tetrazol-5-ylmethyl)cyclopropyl]methoxy]phenyl]methyl]piperidine-3-carboxamide CAS Name: (3R,4S)-N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-[[1-(2H-tetrazol-5-ylmethyl)cyclopropyl]methoxy]phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3R,4S)-N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-[[1-(2H-tetrazol-5-ylmethyl)cyclopropyl]methoxy]phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3R,4S)-N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[3-(3-methoxypropyl)-5-[[1-(2H-tetrazol-5-ylmethyl)cyclopropyl]methoxy]benzyl]nipecotamide Formula: C41H50Cl2N6O5 MolecularWeight: 777.7789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C3CCNCC3C(=O)N(CC4=CC(=CC(=C4)CCCOC)OCC5(CC5)CC6=NNN=N6)C7CC7)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)[C@H]3CCNC[C@@H]3C(=O)N(CC4=CC(=CC(=C4)CCCOC)OCC5(CC5)CC6=NNN=N6)C7CC7)Cl

InChI

InChI=1S/C41H50Cl2N6O5/c1-27-18-36(42)39(37(43)19-27)53-17-16-52-32-9-5-30(6-10-32)34-11-14-44-24-35(34)40(50)49(31-7-8-31)25-29-20-28(4-3-15-51-2)21-33(22-29)54-26-41(12-13-41)23-38-45-47-48-46-38/h5-6,9-10,18-22,31,34-35,44H,3-4,7-8,11-17,23-26H2,1-2H3,(H,45,46,47,48)/t34-,35+/m1/s1