R2C

5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID

Created:	2007-05-29
Last modified:	2011-06-04

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1 entries where R2C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	18

2D diagram of R2C

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Chemical Component Summary
Name	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID
Systematic Name (OpenEye OEToolkits)	5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid
Formula	C₂₀ H₁₇ N O₄
Molecular Weight	335.353
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c3cc(OC)ccc3Nc2ccc(Oc1ccccc1)cc2
SMILES	CACTVS	3.341	COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(c1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3
Canonical SMILES	CACTVS	3.341	COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3
InChI	InChI	1.03	InChI=1S/C20H17NO4/c1-24-17-11-12-19(18(13-17)20(22)23)21-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)
InChIKey	InChI	1.03	YJRDHMUPONVWTE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	24794393

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