oxan-4-yl 4-cyclohexyl-1-[(2R)-2-[(3,5-diethylpiperazin-1-yl)carbonylamino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: oxan-4-yl 4-cyclohexyl-1-[(2R)-2-[(3,5-diethylpiperazin-1-yl)carbonylamino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate Openeye Name: tetrahydropyran-4-yl 4-cyclohexyl-1-[(2R)-2-[(3,5-diethylpiperazine-1-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate CAS Name: 4-cyclohexyl-1-[(2R)-2-[[(3,5-diethyl-1-piperazinyl)-oxomethyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]-4-piperidinecarboxylic acid 4-oxanyl ester IUPAC Name: oxan-4-yl 4-cyclohexyl-1-[(2R)-2-[(3,5-diethylpiperazine-1-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-cyclohexyl-1-[(2R)-2-[(3,5-diethylpiperazine-1-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]isonipecotic acid tetrahydropyran-4-yl ester Formula: C35H53FN4O5 MolecularWeight: 628.817523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC(N1)CC)C(=O)NC(CC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)(C4CCCCC4)C(=O)OC5CCOCC5

Isomeric SMILES

CCC1CN(CC(N1)CC)C(=O)N[C@H](CC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)(C4CCCCC4)C(=O)OC5CCOCC5

InChI

InChI=1S/C35H53FN4O5/c1-3-28-23-40(24-29(4-2)37-28)34(43)38-31(22-25-10-12-27(36)13-11-25)32(41)39-18-16-35(17-19-39,26-8-6-5-7-9-26)33(42)45-30-14-20-44-21-15-30/h10-13,26,28-31,37H,3-9,14-24H2,1-2H3,(H,38,43)/t28?,29?,31-/m1/s1