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Summary Geometry Related PDB entries

16L

Summary

Name:	N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide
Formula:	C19 H19 N O2
Formal charge:	0
Formula weight:	293.36 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide
OpenEye OEToolkits	1.7.6	N-[3-[(E)-2-(3,5-dimethyl-4-oxidanyl-phenyl)ethenyl]phenyl]prop-2-enamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(\C=C)Nc1cccc(c1)\C=C\c2cc(c(O)c(c2)C)C
InChI	InChI	1.03	InChI=1S/C19H19NO2/c1-4-18(21)20-17-7-5-6-15(12-17)8-9-16-10-13(2)19(22)14(3)11-16/h4-12,22H,1H2,2-3H3,(H,20,21)/b9-8+
InChIKey	InChI	1.03	DRLFABBDFNCSSQ-CMDGGOBGSA-N
SMILES_CANONICAL	CACTVS	3.370	Cc1cc(\C=C\c2cccc(NC(=O)C=C)c2)cc(C)c1O
SMILES	CACTVS	3.370	Cc1cc(C=Cc2cccc(NC(=O)C=C)c2)cc(C)c1O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1O)C)C=Cc2cccc(c2)NC(=O)C=C

223532

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