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Summary Geometry Related PDB entries

A1A0S

Summary

Name:	(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
Formula:	C23 H30 N2 O2
Formal charge:	0
Formula weight:	366.497 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
OpenEye OEToolkits	2.0.7	(~{E})-1-[(3~{R})-1-cyclopentylpiperidin-3-yl]-~{N}-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc2cc(ccc2c1)C(=N\OC)\C1CCCN(C1)C1CCCC1
InChI	InChI	1.06	InChI=1S/C23H30N2O2/c1-26-22-12-11-17-14-19(10-9-18(17)15-22)23(24-27-2)20-6-5-13-25(16-20)21-7-3-4-8-21/h9-12,14-15,20-21H,3-8,13,16H2,1-2H3/b24-23-/t20-/m1/s1
InChIKey	InChI	1.06	OOQFGLNLHKAAOI-LRVSTDGRSA-N
SMILES_CANONICAL	CACTVS	3.385	CO/N=C([C@@H]1CCCN(C1)C2CCCC2)/c3ccc4cc(OC)ccc4c3
SMILES	CACTVS	3.385	CON=C([CH]1CCCN(C1)C2CCCC2)c3ccc4cc(OC)ccc4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)/C(=N/OC)/[C@@H]3CCCN(C3)C4CCCC4
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)C(=NOC)C3CCCN(C3)C4CCCC4

248335

PDB entries from 2026-01-28

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