L31

3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol

Created:	2009-10-05
Last modified:	2011-06-04

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1 entries where L31 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	16

2D diagram of L31

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Chemical Component Summary
Name	3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol
Systematic Name (OpenEye OEToolkits)	1-[(1R)-1-(3-hydroxyphenyl)-6-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
Formula	C₂₀ H₂₀ N₂ O₂
Molecular Weight	320.385
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(N4CCc2c1cc(ccc1nc2C4c3cccc(O)c3)C)C
SMILES	CACTVS	3.352	CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[CH]1c4cccc(O)c4
SMILES	OpenEye OEToolkits	1.7.0	Cc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C)c4cccc(c4)O
Canonical SMILES	CACTVS	3.352	CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@H]1c4cccc(O)c4
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O
InChI	InChI	1.03	InChI=1S/C20H20N2O2/c1-12-6-7-18-17(10-12)16-8-9-22(13(2)23)20(19(16)21-18)14-4-3-5-15(24)11-14/h3-7,10-11,20-21,24H,8-9H2,1-2H3/t20-/m1/s1
InChIKey	InChI	1.03	ZNGGYWGHJZJJDR-HXUWFJFHSA-N

Related Resource References

Resource Name	Reference
PubChem	49867220

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