MJM

(4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one

Created:	2016-01-14
Last modified:	2017-07-24

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1 entries where MJM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	12

2D diagram of MJM

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Chemical Component Summary
Name	(4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one
Systematic Name (OpenEye OEToolkits)	2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydro-4~{a}~{H}-quinolin-4-one
Formula	C₂₂ H₂₁ N O₂
Molecular Weight	331.408
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=C(C(=O)[CH]2CCCCC2=N1)c3ccc(Oc4ccccc4)cc3
SMILES	OpenEye OEToolkits	2.0.6	CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4
Canonical SMILES	CACTVS	3.385	CC1=C(C(=O)[C@H]2CCCCC2=N1)c3ccc(Oc4ccccc4)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4
InChI	InChI	1.03	InChI=1S/C22H21NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t19-/m0/s1
InChIKey	InChI	1.03	HIEQRZFLXIDNCA-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
PubChem	137349750

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