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Summary Geometry Related PDB entries

WGK

Summary

Name:	ethyl 1-(5,7-dimethoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
Formula:	C20 H26 N2 O4
Formal charge:	0
Formula weight:	358.431 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	ethyl 1-(5,7-dimethoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
OpenEye OEToolkits	2.0.7	ethyl 1-(5,7-dimethoxy-4-methyl-quinolin-2-yl)piperidine-4-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)C1CCN(CC1)c1nc2cc(OC)cc(OC)c2c(C)c1
InChI	InChI	1.06	InChI=1S/C20H26N2O4/c1-5-26-20(23)14-6-8-22(9-7-14)18-10-13(2)19-16(21-18)11-15(24-3)12-17(19)25-4/h10-12,14H,5-9H2,1-4H3
InChIKey	InChI	1.06	QMSAXOQPCCJWDP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOC(=O)C1CCN(CC1)c2cc(C)c3c(OC)cc(OC)cc3n2
SMILES	CACTVS	3.385	CCOC(=O)C1CCN(CC1)c2cc(C)c3c(OC)cc(OC)cc3n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOC(=O)C1CCN(CC1)c2cc(c3c(n2)cc(cc3OC)OC)C
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)C1CCN(CC1)c2cc(c3c(n2)cc(cc3OC)OC)C

222415

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