AJL

(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

Created:	2018-11-03
Last modified:	2019-10-23

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1 entries where AJL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	1
Bond Count	51
Aromatic Bond Count	16

2D diagram of AJL

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Chemical Component Summary
Name	(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Systematic Name (OpenEye OEToolkits)	(1~{S})-1-(1~{H}-indol-3-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde
Formula	C₂₁ H₂₂ N₂ O₃
Molecular Weight	350.411
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c1C(N(CCc1cc(c2OC)OC)C=O)Cc3cnc4ccccc34
SMILES	CACTVS	3.385	COc1cc2CCN(C=O)[CH](Cc3c[nH]c4ccccc34)c2cc1OC
SMILES	OpenEye OEToolkits	2.0.6	COc1cc2c(cc1OC)C(N(CC2)C=O)Cc3c[nH]c4c3cccc4
Canonical SMILES	CACTVS	3.385	COc1cc2CCN(C=O)[C@@H](Cc3c[nH]c4ccccc34)c2cc1OC
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4
InChI	InChI	1.03	InChI=1S/C21H22N2O3/c1-25-20-10-14-7-8-23(13-24)19(17(14)11-21(20)26-2)9-15-12-22-18-6-4-3-5-16(15)18/h3-6,10-13,19,22H,7-9H2,1-2H3/t19-/m0/s1
InChIKey	InChI	1.03	KJLYODHJNMBXRK-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
PubChem	139267728

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