ethyl 1-[4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonyl-4-cyclohexyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonyl-4-cyclohexyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexyl-piperidine-4-carboxylate CAS Name: 1-[[1-tert-butyl-4-(2,4-difluorophenyl)-3-pyrrolidinyl]-oxomethyl]-4-cyclohexyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxylate Traditional Name: 1-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexyl-isonipecotic acid ethyl ester Formula: C29H42F2N2O3 MolecularWeight: 504.652186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CN(CC2C3=C(C=C(C=C3)F)F)C(C)(C)C)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2CN(CC2C3=C(C=C(C=C3)F)F)C(C)(C)C)C4CCCCC4

InChI

InChI=1S/C29H42F2N2O3/c1-5-36-27(35)29(20-9-7-6-8-10-20)13-15-32(16-14-29)26(34)24-19-33(28(2,3)4)18-23(24)22-12-11-21(30)17-25(22)31/h11-12,17,20,23-24H,5-10,13-16,18-19H2,1-4H3