(3R,4R)-3-{[4-(Benzyloxy)benzoyl]amino}-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-azepanecarboxamide

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Systematic / IUPAC Name: (3R,4R)-4-Hydroxy-3-[(4-phenylmethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]azepane-1-carboxamide

ID: Reference9940

Other Names: 1H-Azepine-1-carboxamide, hexahydro-4-hydroxy-3-[[4-(phenylmethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]-, (3R,4R)-;
NAT10-367732

Formula: C28H28F3N3O4

Spectral Data

(3R,4R)-3-{[4-(Benzyloxy)benzoyl]amino}-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-azepanecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 4720
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/17/2020 10:15:34 AM
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Identificators

InChI InChI=1S/C28H28F3N3O4/c29-28(30,31)21-8-4-9-22(16-21)32-27(37)34-15-5-10-25(35)24(17-34)33-26(36)20-11-13-23(14-12-20)38-18-19-6-2-1-3-7-19/h1-4,6-9,11-14,16,24-25,35H,5,10,15,17-18H2,(H,32,37)(H,33,36)/t24-,25-/m1/s1
InChI Key RCSUXEOESKIYSZ-JWQCQUIFSA-N
Canonical SMILES C1CC(C(CN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O
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Other Names 1H-Azepine-1-carboxamide, hexahydro-4-hydroxy-3-[[4-(phenylmethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]-, (3R,4R)-;
NAT10-367732

In Other Databases

PubChem 45360387
ChemSpider 21379811