ZYL

1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Created:	2010-10-21
Last modified:	2011-05-17

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1 entries where ZYL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	6

2D diagram of ZYL

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Chemical Component Summary
Name	1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-[(3-hexoxyphenyl)methyl]-4-oxidanyl-2-oxidanylidene-pyridine-3-carboxylic acid
Formula	C₁₉ H₂₃ N O₅
Molecular Weight	345.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc2
SMILES	CACTVS	3.370	CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O
Canonical SMILES	CACTVS	3.370	CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)
InChIKey	InChI	1.03	IEFKPWNGVIDYEA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	57336498
ChEMBL	CHEMBL2063256

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