RAC

4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID

Created:	2002-11-18
Last modified:	2011-06-04

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1 entries where RAC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of RAC

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Chemical Component Summary
Name	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-[[2-(dimethylcarbamoyl)phenyl]carbamoyloxymethyl]benzoic acid
Formula	C₁₈ H₁₈ N₂ O₅
Molecular Weight	342.346
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N(C)C)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
SMILES	CACTVS	3.341	CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
Canonical SMILES	CACTVS	3.341	CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C18H18N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,19,24)(H,22,23)
InChIKey	InChI	1.03	WBKIRHATIRDZAH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	447144

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