8R7

2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid

Created:	2017-03-03
Last modified:	2017-04-26

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1 entries where 8R7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	17

2D diagram of 8R7

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Chemical Component Summary
Name	2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid
Formula	C₂₂ H₂₁ N O₃
Molecular Weight	347.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc(c(C1CCCC1)cc2c3ccnc4cc(OC)ccc34)C(O)=O
SMILES	CACTVS	3.385	COc1ccc2c(c1)nccc2c3ccc(C(O)=O)c(c3)C4CCCC4
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O
Canonical SMILES	CACTVS	3.385	COc1ccc2c(c1)nccc2c3ccc(C(O)=O)c(c3)C4CCCC4
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O
InChI	InChI	1.03	InChI=1S/C22H21NO3/c1-26-16-7-9-18-17(10-11-23-21(18)13-16)15-6-8-19(22(24)25)20(12-15)14-4-2-3-5-14/h6-14H,2-5H2,1H3,(H,24,25)
InChIKey	InChI	1.03	ISWSKRZAOHBEDP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126842988

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