ethyl 2-[4-[1-[3-(4-fluorophenyl)-4-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]carbonyl-methyl-amino]butyl]-4-phenyl-piperidin-4-yl]carbonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[1-[3-(4-fluorophenyl)-4-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]carbonyl-methyl-amino]butyl]-4-phenyl-piperidin-4-yl]carbonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[1-[3-(4-fluorophenyl)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzoyl]-methyl-amino]butyl]-4-phenyl-piperidine-4-carbonyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[1-[3-(4-fluorophenyl)-4-[[[2-methoxy-5-[5-(trifluoromethyl)-1-tetrazolyl]phenyl]-oxomethyl]-methylamino]butyl]-4-phenyl-4-piperidinyl]-oxomethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-[3-(4-fluorophenyl)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzoyl]-methylamino]butyl]-4-phenylpiperidine-4-carbonyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[1-[3-(4-fluorophenyl)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzoyl]-methyl-amino]butyl]-4-phenyl-isonipecotoyl]piperazino]acetic acid ethyl ester Formula: C41H48F4N8O5 MolecularWeight: 808.864033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=O)C2(CCN(CC2)CCC(CN(C)C(=O)C3=C(C=CC(=C3)N4C(=NN=N4)C(F)(F)F)OC)C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=O)C2(CCN(CC2)CCC(CN(C)C(=O)C3=C(C=CC(=C3)N4C(=NN=N4)C(F)(F)F)OC)C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C41H48F4N8O5/c1-4-58-36(54)28-51-22-24-52(25-23-51)39(56)40(31-8-6-5-7-9-31)17-20-50(21-18-40)19-16-30(29-10-12-32(42)13-11-29)27-49(2)37(55)34-26-33(14-15-35(34)57-3)53-38(41(43,44)45)46-47-48-53/h5-15,26,30H,4,16-25,27-28H2,1-3H3