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Summary Geometry Related PDB entries

D56

Summary

Name:	4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Formula:	C24 H32 Cl N3 O3
Formal charge:	0
Formula weight:	445.982 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
OpenEye OEToolkits	1.5.0	4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-yl-phenyl)-3,5-dimethyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(cc(Cl)c2OCC)N3CCCCC3
SMILES_CANONICAL	CACTVS	3.341	CCOc1c(Cl)cc(cc1NC(=O)c2cc(C)c(OCCN)c(C)c2)N3CCCCC3
SMILES	CACTVS	3.341	CCOc1c(Cl)cc(cc1NC(=O)c2cc(C)c(OCCN)c(C)c2)N3CCCCC3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C
SMILES	OpenEye OEToolkits	1.5.0	CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C
InChI	InChI	1.03	InChI=1S/C24H32ClN3O3/c1-4-30-23-20(25)14-19(28-9-6-5-7-10-28)15-21(23)27-24(29)18-12-16(2)22(17(3)13-18)31-11-8-26/h12-15H,4-11,26H2,1-3H3,(H,27,29)
InChIKey	InChI	1.03	CKBBGCJYKCLKHE-UHFFFAOYSA-N

219140

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