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4-cyano-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)heptanedioic acid

4-cyano-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)heptanedioic acid

Systemtic Name:4-cyano-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)heptanedioic acid
Openeye Name:4-cyano-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)heptanedioic acid
CAS Name:4-cyano-4-(1-cyclopentyl-3-ethyl-6-indazolyl)heptanedioic acid
IUPAC Name:4-cyano-4-(1-cyclopentyl-3-ethylindazol-6-yl)heptanedioic acid
Traditional Name:4-cyano-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)pimelic acid
Formula: C22H27N3O4
MolecularWeight: 397.46748
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C(CCC(=O)O)(CCC(=O)O)C#N)C3CCCC3


Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C(CCC(=O)O)(CCC(=O)O)C#N)C3CCCC3


InChI

InChI=1S/C22H27N3O4/c1-2-18-17-8-7-15(13-19(17)25(24-18)16-5-3-4-6-16)22(14-23,11-9-20(26)27)12-10-21(28)29/h7-8,13,16H,2-6,9-12H2,1H3,(H,26,27)(H,28,29)


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