1,4-Methano[1,7]oxaazacyclododecino[3,4-b]indole-8(3H)-carboxylic acid, 1,4,5,6,7,9,10,15-octahydro-, phenylmethyl ester

SpectraBase Compound ID	IQabATKfstj
InChI	InChI=1S/C25H28N2O3/c28-25(30-16-18-7-2-1-3-8-18)27-13-6-9-19-15-23(29-17-19)24-21(12-14-27)20-10-4-5-11-22(20)26-24/h1-5,7-8,10-11,19,23,26H,6,9,12-17H2
InChIKey	HIIKGWUJIZXXAF-UHFFFAOYSA-N Google Search
Mol Weight	404.51 g/mol
Molecular Formula	C25H28N2O3
Exact Mass	404.209993 g/mol

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SpectraBase Spectrum ID	FTZsp0CSMmq
Name	1,4-Methano[1,7]oxaazacyclododecino[3,4-b]indole-8(3H)-carboxylic acid, 1,4,5,6,7,9,10,15-octahydro-, phenylmethyl ester
CAS Registry Number	116171-91-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H28N2O3
InChI	InChI=1S/C25H28N2O3/c28-25(30-16-18-7-2-1-3-8-18)27-13-6-9-19-15-23(29-17-19)24-21(12-14-27)20-10-4-5-11-22(20)26-24/h1-5,7-8,10-11,19,23,26H,6,9,12-17H2
InChIKey	HIIKGWUJIZXXAF-UHFFFAOYSA-N
Molecular Weight	404.510 g/mol
SMILES	[nH]1c2ccccc2c2c1C1CC(CCCN(CC2)C(OCc2ccccc2)=O)CO1
SPLASH	splash10-0006-8930200000-052784f3d4fc7011b922
Source of Spectrum	F-43-3780-26
Synonyms	3-Benzyloxycarbonyl-9,7-epoxymethano-1,2,3,4,5,6,7,8,9,10-decahydro-3-azacycloundecino(5,4-b)indole 3-Benzyloxycarbonyl-9,7-epoxymethano-1,2,3,4,5,6,7,8,9,10-decahydroazacycloundecino[5,4-b]indol
Wiley ID	1371479