EP8

5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid

Created:	2018-04-06
Last modified:	2019-04-24

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2 entries where EP8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	21

2D diagram of EP8

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Chemical Component Summary
Name	5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid
Formula	C₂₁ H₁₉ N₃ O₃
Molecular Weight	361.394
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cnn(c2ccccc2)c1OCCCc3c[nH]c4ccccc34
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4
Canonical SMILES	CACTVS	3.385	OC(=O)c1cnn(c2ccccc2)c1OCCCc3c[nH]c4ccccc34
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4
InChI	InChI	1.03	InChI=1S/C21H19N3O3/c25-21(26)18-14-23-24(16-8-2-1-3-9-16)20(18)27-12-6-7-15-13-22-19-11-5-4-10-17(15)19/h1-5,8-11,13-14,22H,6-7,12H2,(H,25,26)
InChIKey	InChI	1.03	KHUCHDHRSOJGSA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137797013

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