A1H3Z

4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one

Created:	2024-02-08
Last modified:	2025-02-19

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1 entries where A1H3Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	16

2D diagram of A1H3Z

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Chemical Component Summary
Name	4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one
Systematic Name (OpenEye OEToolkits)	4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one
Formula	C₁₉ H₁₉ N O₂
Molecular Weight	293.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)CCc1c[nH]c2c1cc(cc2)OCc3ccccc3
Canonical SMILES	CACTVS	3.385	CC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)CCc1c[nH]c2c1cc(cc2)OCc3ccccc3
InChI	InChI	1.06	InChI=1S/C19H19NO2/c1-14(21)7-8-16-12-20-19-10-9-17(11-18(16)19)22-13-15-5-3-2-4-6-15/h2-6,9-12,20H,7-8,13H2,1H3
InChIKey	InChI	1.06	ADXXLZSPGLMNER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10957324

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.