U68

(4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate

Created:	2021-01-25
Last modified:	2021-03-03

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1 entries where U68 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	17

2D diagram of U68

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Chemical Component Summary
Name	(4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate
Systematic Name (OpenEye OEToolkits)	[4-[bis(oxidanyl)amino]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate
Formula	C₂₀ H₁₉ N O₅
Molecular Weight	353.369
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)[CH](C)C(=O)Oc3ccc(cc3)N(O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O
Canonical SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc3ccc(cc3)N(O)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O
InChI	InChI	1.03	InChI=1S/C20H19NO5/c1-13(20(22)26-18-9-6-17(7-10-18)21(23)24)14-3-4-16-12-19(25-2)8-5-15(16)11-14/h3-13,23-24H,1-2H3/t13-/m0/s1
InChIKey	InChI	1.03	DDQGDHCOPRIKDU-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	155804545

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