(5S,7R)-3-benzyl-5-[(1R)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester

SpectraBase Compound ID	8mdjwtRewWG
InChI	InChI=1S/C25H30N2O3/c1-17(28)19-14-22(25(29)30-2)24-21(20-10-6-7-11-23(20)26-24)12-13-27(16-19)15-18-8-4-3-5-9-18/h3-11,17,19,22,26,28H,12-16H2,1-2H3/t17-,19+,22-/m1/s1
InChIKey	KIUGLEHARZNZED-ZWCUEREDSA-N Google Search
Mol Weight	406.53 g/mol
Molecular Formula	C25H30N2O3
Exact Mass	406.225643 g/mol

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SpectraBase Spectrum ID	AwWU7MnPjQx
Name	(5S,7R)-3-Benzyl-5-[(1R)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-B]indole-7-carboxylic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	406.225642831 u
Formula	C25H30N2O3
InChI	InChI=1S/C25H30N2O3/c1-17(28)19-14-22(25(29)30-2)24-21(20-10-6-7-11-23(20)26-24)12-13-27(16-19)15-18-8-4-3-5-9-18/h3-11,17,19,22,26,28H,12-16H2,1-2H3/t17-,19+,22-/m1/s1
InChIKey	KIUGLEHARZNZED-ZWCUEREDSA-N
Molecular Weight	406.526 g/mol
SMILES	C1=2[C@@](C[C@@](CN(CCC2C=2C=CC=CC2N1)CC=1C=CC=CC1)([C@](O)(C)[H])[H])(C(=O)OC)[H]