(2S,3S,3aS,8aR)-4-[(R)-tert-Butylcarbamoyl-(4-chloro-phenyl)-methyl]-6-methylene-2-vinyl-3,3a,4,5,6,8a-hexahydro-2H-furo[3,2-b]azepine-3-carboxylic acid methyl ester

SpectraBase Compound ID	5WSXwxLXwV3
InChI	InChI=1S/C25H31ClN2O4/c1-7-18-20(24(30)31-6)22-19(32-18)13-8-15(2)14-28(22)21(23(29)27-25(3,4)5)16-9-11-17(26)12-10-16/h7-13,18-22H,1-2,14H2,3-6H3,(H,27,29)/t18-,19+,20+,21+,22+/m0/s1
InChIKey	IWSNSOFDGQMOND-ZSYZGHEHSA-N Google Search
Mol Weight	458.99 g/mol
Molecular Formula	C25H31ClN2O4
Exact Mass	458.197235 g/mol

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SpectraBase Spectrum ID	4s9euPnQAxP
Name	(2S,3S,3aS,8aR)-4-[(R)-tert-Butylcarbamoyl-(4-chloro-phenyl)-methyl]-6-methylene-2-vinyl-3,3a,4,5,6,8a-hexahydro-2H-furo[3,2-b]azepine-3-carboxylic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H31ClN2O4
InChI	InChI=1S/C25H31ClN2O4/c1-7-18-20(24(30)31-6)22-19(32-18)13-8-15(2)14-28(22)21(23(29)27-25(3,4)5)16-9-11-17(26)12-10-16/h7-13,18-22H,1-2,14H2,3-6H3,(H,27,29)/t18-,19+,20+,21+,22+/m0/s1
InChIKey	IWSNSOFDGQMOND-ZSYZGHEHSA-N
Molecular Weight	458.986 g/mol
SMILES	N(C([C@](N1[C@]2([C@@]([C@](C=C)(O[C@@]2(C=CC(C1)=C)[H])[H])(C(=O)OC)[H])[H])(c1ccc(cc1)Cl)[H])=O)C(C)(C)C
SPLASH	splash10-0a9r-0949000000-ba8cabcde2d28318b284
Source of Spectrum	F-62-8835-12
Synonyms	(Z,2S,3S,3aS,7aR)-Methyl 4-((R)-(tert-Butylcarbamoyl)(4-chlorophenyl)methyl)-3,3a,4,5,6,8a-hexahydro-2-vinyl-6-methylene-2H-furo[3,2-b]azepine-3-carboxylate Methyl (2S,3S,3aS,8aR)-4-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-6-methylene-2-vinyl-3,3a,4,5,6,8a-hexahydro-2H-furo[3,2-b]azepine-3-carboxylate
Wiley ID	1640636