1H-Pyrido[3,4-b]indole, propanedioic acid deriv.

SpectraBase Compound ID	BoMFXqZagPm
InChI	InChI=1S/C25H28N2O4/c1-30-24(28)20(25(29)31-2)12-13-22-23-19(18-10-6-7-11-21(18)26-23)14-15-27(22)16-17-8-4-3-5-9-17/h3-11,20,22,26H,12-16H2,1-2H3
InChIKey	QABXPGCMVQXWBV-UHFFFAOYSA-N Google Search
Mol Weight	420.51 g/mol
Molecular Formula	C25H28N2O4
Exact Mass	420.204907 g/mol

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SpectraBase Spectrum ID	GLFJcCpgshH
Name	1H-Pyrido[3,4-b]indole, propanedioic acid deriv.
CAS Registry Number	115757-56-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H28N2O4
InChI	InChI=1S/C25H28N2O4/c1-30-24(28)20(25(29)31-2)12-13-22-23-19(18-10-6-7-11-21(18)26-23)14-15-27(22)16-17-8-4-3-5-9-17/h3-11,20,22,26H,12-16H2,1-2H3
InChIKey	QABXPGCMVQXWBV-UHFFFAOYSA-N
Molecular Weight	420.509 g/mol
SMILES	[nH]1c2ccccc2c2c1C(N(CC2)Cc1ccccc1)CCC(C(=O)OC)C(=O)OC
SPLASH	splash10-03dl-8090000000-7a6a5e83f6103475df76
Source of Spectrum	J-53-4239-22
Synonyms	Propanedioic acid, [2-[2,3,4,9-tetrahydro-2-(phenylmethyl)-1H-pyrido[3,4-b]indol-1-yl]ethyl]-, dimethyl ester, (.+-.)- 1-(3',3'-Dimethoxycarbonylpropyl)-2-benzyl-1,3,4-trihydro-9H-pyrido[3,4-b]indole Dimethyl 2-[2-(2-benzyl-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl)ethyl]malonate
Wiley ID	1378072