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Summary Geometry Related PDB entries

A1ETJ

Summary

Name:	4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]-9~{H}-carbazole
Formula:	C24 H24 N2 O
Formal charge:	0
Formula weight:	356.46 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]-9~{H}-carbazole

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H24N2O/c1-2-7-21-20(6-1)24-22(25-21)8-5-9-23(24)27-17-19-12-10-18(11-13-19)16-26-14-3-4-15-26/h1-2,5-13,25H,3-4,14-17H2
InChIKey	InChI	1.06	ZWKSZDSRGSVBLC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C1CCN(C1)Cc2ccc(COc3cccc4[nH]c5ccccc5c34)cc2
SMILES	CACTVS	3.385	C1CCN(C1)Cc2ccc(COc3cccc4[nH]c5ccccc5c34)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3c([nH]2)cccc3OCc4ccc(cc4)CN5CCCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3c([nH]2)cccc3OCc4ccc(cc4)CN5CCCC5

257179

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