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Molecule : H3D

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
2	InChIKey	InChI	1.03	RVYUUTVAMYXICP-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3
4	SMILES	CACTVS	3.385	CC(=O)NC1(CCCC1)c2ccc3OCCOc3c2
5	SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3
6	Canonical SMILES	CACTVS	3.385	CC(=O)NC1(CCCC1)c2ccc3OCCOc3c2
7	Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3