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Summary Geometry Related PDB entries

9PQ

Summary

Name:	4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C24 H26 N2 O3
Formal charge:	0
Formula weight:	390.475 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
OpenEye OEToolkits	1.7.6	4-[2-(hydroxymethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CO)cc4
InChI	InChI	1.03	InChI=1S/C24H26N2O3/c27-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)25-11-12-26-13-15-29-16-14-26/h1-10,27H,11-17H2,(H,25,28)
InChIKey	InChI	1.03	QFHPEAOPPKNNMS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	OCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4
SMILES	CACTVS	3.370	OCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO

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