NPX

(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

Created:	2007-10-04
Last modified:	2021-03-01

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5 entries where NPX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	11

2D diagram of NPX

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Chemical Component Summary
Name	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
Synonyms	(R)-Naproxen
Systematic Name (OpenEye OEToolkits)	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
Formula	C₁₄ H₁₄ O₃
Molecular Weight	230.259
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
SMILES	CACTVS	3.370	COc1ccc2cc(ccc2c1)[CH](C)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CC(c1ccc2cc(ccc2c1)OC)C(=O)O
Canonical SMILES	CACTVS	3.370	COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
InChIKey	InChI	1.03	CMWTZPSULFXXJA-SECBINFHSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1618254
PubChem	169118
ChEMBL	CHEMBL1618254
ChEBI	CHEBI:94583
CCDC/CSD	QIMBEW01, COYRUD, QIMBAS

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