95R

(4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

Created:	2017-12-22
Last modified:	2020-10-28

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1 entries where 95R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	6

2D diagram of 95R

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Chemical Component Summary
Name	(4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	(4~{R})-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Formula	C₁₆ H₁₇ N O₃
Molecular Weight	271.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N3C1=C(C(CCC1)=O)C(c2ccccc2OC)CC3=O
SMILES	CACTVS	3.385	COc1ccccc1[CH]2CC(=O)NC3=C2C(=O)CCC3
SMILES	OpenEye OEToolkits	2.0.6	COc1ccccc1C2CC(=O)NC3=C2C(=O)CCC3
Canonical SMILES	CACTVS	3.385	COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3
InChI	InChI	1.03	InChI=1S/C16H17NO3/c1-20-14-8-3-2-5-10(14)11-9-15(19)17-12-6-4-7-13(18)16(11)12/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKey	InChI	1.03	MDOFNEVXYMTSSJ-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	40498092

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