58Z

1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid

Created:	2009-01-20
Last modified:	2011-06-04

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1 entries where 58Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	10

2D diagram of 58Z

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Chemical Component Summary
Name	1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
Formula	C₁₆ H₂₀ N₂ O₃
Molecular Weight	288.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C3CCN(CCOc2cc1ccnc1cc2)CC3
SMILES	CACTVS	3.341	OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)
InChIKey	InChI	1.03	WEUOMMCSMCVWHD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72199878, 44129622
ChEMBL	CHEMBL562164

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