2-[cyano-(1-cyclopentyl-3-ethyl-indazol-6-yl)methyl]propanedioic acid

Systemtic Name: 2-[cyano-(1-cyclopentyl-3-ethyl-indazol-6-yl)methyl]propanedioic acid Openeye Name: 2-[cyano-(1-cyclopentyl-3-ethyl-indazol-6-yl)methyl]propanedioic acid CAS Name: 2-[cyano-(1-cyclopentyl-3-ethyl-6-indazolyl)methyl]propanedioic acid IUPAC Name: 2-[cyano-(1-cyclopentyl-3-ethylindazol-6-yl)methyl]propanedioic acid Traditional Name: 2-[cyano-(1-cyclopentyl-3-ethyl-indazol-6-yl)methyl]malonic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-2-15-13-8-7-11(14(10-20)17(18(23)24)19(25)26)9-16(13)22(21-15)12-5-3-4-6-12/h7-9,12,14,17H,2-6H2,1H3,(H,23,24)(H,25,26)