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Summary Geometry Related PDB entries

C23

Summary

Name:	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
Formula:	C23 H25 N O3
Formal charge:	0
Formula weight:	363.45 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
OpenEye OEToolkits	1.9.2	1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenyl-propan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c3oc2cccc(OC1CCNCC1)c2c3C)CCc4ccccc4
InChI	InChI	1.03	InChI=1S/C23H25NO3/c1-16-22-20(26-18-12-14-24-15-13-18)8-5-9-21(22)27-23(16)19(25)11-10-17-6-3-2-4-7-17/h2-9,18,24H,10-15H2,1H3
InChIKey	InChI	1.03	ZUAGYVKWPGUWFU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)CCc4ccccc4
SMILES	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)CCc4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4
SMILES	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4

218500

PDB entries from 2024-04-17

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