1-(3-cyano-4-pentan-3-yloxy-phenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-cyano-4-pentan-3-yloxy-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-[3-cyano-4-(1-ethylpropoxy)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(3-cyano-4-pentan-3-yloxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyano-4-pentan-3-yloxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-[3-cyano-4-(1-ethylpropoxy)phenyl]pyrazole-4-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

Isomeric SMILES

CCC(CC)OC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

InChI

InChI=1S/C16H17N3O3/c1-3-14(4-2)22-15-6-5-13(7-11(15)8-17)19-10-12(9-18-19)16(20)21/h5-7,9-10,14H,3-4H2,1-2H3,(H,20,21)