[1-[3-[[3,4-bis(fluoranyl)phenyl]carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-(4-cyanophenoxy)propan-2-yl]carbamic acid

Systemtic Name: [1-[3-[[3,4-bis(fluoranyl)phenyl]carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-(4-cyanophenoxy)propan-2-yl]carbamic acid Openeye Name: [1-[(4-cyanophenoxy)methyl]-2-[3-[(3,4-difluorophenyl)carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]carbamic acid CAS Name: [1-(4-cyanophenoxy)-3-[3-[(3,4-difluoroanilino)-oxomethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid IUPAC Name: [1-(4-cyanophenoxy)-3-[3-[(3,4-difluorophenyl)carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid Traditional Name: [1-[(4-cyanophenoxy)methyl]-2-[3-[(3,4-difluorophenyl)carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]carbamic acid Formula: C24H25F2N5O4 MolecularWeight: 485.483206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC1N2CC(COC3=CC=C(C=C3)C#N)NC(=O)O)C(=O)NC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CC2CN(CC1N2CC(COC3=CC=C(C=C3)C#N)NC(=O)O)C(=O)NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C24H25F2N5O4/c25-21-8-3-16(9-22(21)26)28-23(32)30-12-18-4-5-19(13-30)31(18)11-17(29-24(33)34)14-35-20-6-1-15(10-27)2-7-20/h1-3,6-9,17-19,29H,4-5,11-14H2,(H,28,32)(H,33,34)