MVW

5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole

Created:	2019-10-25
Last modified:	2020-03-04

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1 entries where MVW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	53
Aromatic Bond Count	16

2D diagram of MVW

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Chemical Component Summary
Name	5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole
Systematic Name (OpenEye OEToolkits)	5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole
Formula	C₂₂ H₂₆ N₂
Molecular Weight	318.455
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2c(c1CN3CCCCC3c4ccccc4)cc[nH]2)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)c2[nH]ccc2c1CN3CCCC[C@H]3c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]2)C
InChI	InChI	1.03	InChI=1S/C22H26N2/c1-16-14-17(2)22-19(11-12-23-22)20(16)15-24-13-7-6-10-21(24)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,21,23H,6-7,10,13,15H2,1-2H3/t21-/m0/s1
InChIKey	InChI	1.03	GRJUTCRGMYGLQC-NRFANRHFSA-N

Related Resource References

Resource Name	Reference
PubChem	124673805

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