(1-carbamimidoylpiperidin-4-yl)methyl 2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (1-carbamimidoylpiperidin-4-yl)methyl 2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1-carbamimidoyl-4-piperidyl)methyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetic acid (1-carbamimidoyl-4-piperidinyl)methyl ester IUPAC Name: (1-carbamimidoylpiperidin-4-yl)methyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetic acid (1-amidino-4-piperidyl)methyl ester Formula: C20H27F2N3O3 MolecularWeight: 395.443486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(C2=CC=CC=C2)(C(=O)OCC3CCN(CC3)C(=N)N)O)(F)F

Isomeric SMILES

C1CC(CC1C(C2=CC=CC=C2)(C(=O)OCC3CCN(CC3)C(=N)N)O)(F)F

InChI

InChI=1S/C20H27F2N3O3/c21-19(22)9-6-16(12-19)20(27,15-4-2-1-3-5-15)17(26)28-13-14-7-10-25(11-8-14)18(23)24/h1-5,14,16,27H,6-13H2,(H3,23,24)