EV7

2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid

Created:	2018-02-02
Last modified:	2018-04-04

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1 entries where EV7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	22

2D diagram of EV7

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Chemical Component Summary
Name	2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-naphthalen-2-yloxy-5-(1~{H}-pyrazol-4-yl)benzoic acid
Formula	C₂₀ H₁₄ N₂ O₃
Molecular Weight	330.337
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cc(C(O)=O)c1Oc2ccc3ccccc3c2)c4cnnc4
SMILES	CACTVS	3.385	OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4
InChI	InChI	1.03	InChI=1S/C20H14N2O3/c23-20(24)18-10-15(16-11-21-22-12-16)6-8-19(18)25-17-7-5-13-3-1-2-4-14(13)9-17/h1-12H,(H,21,22)(H,23,24)
InChIKey	InChI	1.03	CKJXZYIEHQOLFR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132473011

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