(phenylmethyl) N-[2-[[(3R)-4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(1H-indol-3-ylmethyl)piperazin-1-yl]carbonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[(3R)-4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(1H-indol-3-ylmethyl)piperazin-1-yl]carbonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]carbamate Openeye Name: benzyl N-[2-[[(3R)-4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carbonyl]amino]ethyl]-N-[(2-methoxyphenyl)methyl]carbamate CAS Name: N-[2-[[[(3R)-4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-(1H-indol-3-ylmethyl)-1-piperazinyl]-oxomethyl]amino]ethyl]-N-[(2-methoxyphenyl)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[[(3R)-4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carbonyl]amino]ethyl]-N-[(2-methoxyphenyl)methyl]carbamate Traditional Name: N-[2-[[(3R)-4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carbonyl]amino]ethyl]-N-o-anisyl-carbamic acid benzyl ester Formula: C41H39F6N5O5 MolecularWeight: 795.769279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CCNC(=O)N2CCN(C(C2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1CN(CCNC(=O)N2CCN([C@@H](C2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C41H39F6N5O5/c1-56-36-14-8-5-11-28(36)24-51(39(55)57-26-27-9-3-2-4-10-27)16-15-48-38(54)50-17-18-52(33(25-50)21-30-23-49-35-13-7-6-12-34(30)35)37(53)29-19-31(40(42,43)44)22-32(20-29)41(45,46)47/h2-14,19-20,22-23,33,49H,15-18,21,24-26H2,1H3,(H,48,54)/t33-/m1/s1