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

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

Systemtic Name:4-cyano-4-(1-cyclohexyl-3-ethyl-indazol-6-yl)heptanedioic acid
Openeye Name:4-cyano-4-(1-cyclohexyl-3-ethyl-indazol-6-yl)heptanedioic acid
CAS Name:4-cyano-4-(1-cyclohexyl-3-ethyl-6-indazolyl)heptanedioic acid
IUPAC Name:4-cyano-4-(1-cyclohexyl-3-ethylindazol-6-yl)heptanedioic acid
Traditional Name:4-cyano-4-(1-cyclohexyl-3-ethyl-indazol-6-yl)pimelic acid
Formula: C23H29N3O4
MolecularWeight: 411.49406
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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)C3CCCCC3


Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C(CCC(=O)O)(CCC(=O)O)C#N)C3CCCCC3


InChI

InChI=1S/C23H29N3O4/c1-2-19-18-9-8-16(14-20(18)26(25-19)17-6-4-3-5-7-17)23(15-24,12-10-21(27)28)13-11-22(29)30/h8-9,14,17H,2-7,10-13H2,1H3,(H,27,28)(H,29,30)


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