1U7

(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol

Created:	2013-06-05
Last modified:	2014-05-21

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1 entries where 1U7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	3
Bond Count	40
Aromatic Bond Count	6

2D diagram of 1U7

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Chemical Component Summary
Name	(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol
Systematic Name (OpenEye OEToolkits)	(4R,4aS,8aS)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
Formula	C₁₅ H₂₁ N O
Molecular Weight	231.333
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC2(c1ccccc1)C3C(NCC2)CCCC3
SMILES	CACTVS	3.370	O[C]1(CCN[CH]2CCCC[CH]12)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2(CCNC3C2CCCC3)O
Canonical SMILES	CACTVS	3.370	O[C@@]1(CCN[C@H]2CCCC[C@H]12)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O
InChI	InChI	1.03	InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15-/m0/s1
InChIKey	InChI	1.03	JENIXYWBDVSBMO-KKUMJFAQSA-N

Related Resource References

Resource Name	Reference
PubChem	11865391

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