methyl 4-[[azanyl-[3-[[3,5-bis(fluoranyl)phenyl]methyl]-2-oxidanyl-4-oxidanylidene-pentyl]amino]-(3-tert-butylphenyl)methyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[azanyl-[3-[[3,5-bis(fluoranyl)phenyl]methyl]-2-oxidanyl-4-oxidanylidene-pentyl]amino]-(3-tert-butylphenyl)methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[amino-[3-[(3,5-difluorophenyl)methyl]-2-hydroxy-4-oxo-pentyl]amino]-(3-tert-butylphenyl)methyl]piperidine-1-carboxylate CAS Name: 4-[[amino-[3-[(3,5-difluorophenyl)methyl]-2-hydroxy-4-oxopentyl]amino]-(3-tert-butylphenyl)methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[amino-[3-[(3,5-difluorophenyl)methyl]-2-hydroxy-4-oxopentyl]amino]-(3-tert-butylphenyl)methyl]piperidine-1-carboxylate Traditional Name: 4-[[amino-[3-(3,5-difluorobenzyl)-2-hydroxy-4-keto-pentyl]amino]-(3-tert-butylphenyl)methyl]piperidine-1-carboxylic acid methyl ester Formula: C30H41F2N3O4 MolecularWeight: 545.661046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=CC(=C1)F)F)C(CN(C(C2CCN(CC2)C(=O)OC)C3=CC(=CC=C3)C(C)(C)C)N)O

Isomeric SMILES

CC(=O)C(CC1=CC(=CC(=C1)F)F)C(CN(C(C2CCN(CC2)C(=O)OC)C3=CC(=CC=C3)C(C)(C)C)N)O

InChI

InChI=1S/C30H41F2N3O4/c1-19(36)26(15-20-13-24(31)17-25(32)14-20)27(37)18-35(33)28(21-9-11-34(12-10-21)29(38)39-5)22-7-6-8-23(16-22)30(2,3)4/h6-8,13-14,16-17,21,26-28,37H,9-12,15,18,33H2,1-5H3