ethyl 1-[3-cyano-4-(3-methylbutoxy)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-cyano-4-(3-methylbutoxy)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-cyano-4-isopentyloxy-phenyl)pyrazole-4-carboxylate CAS Name: 1-[3-cyano-4-(3-methylbutoxy)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-4-(3-methylbutoxy)phenyl]pyrazole-4-carboxylate Traditional Name: 1-(3-cyano-4-isoamoxy-phenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=CC(=C(C=C2)OCCC(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=CC(=C(C=C2)OCCC(C)C)C#N

InChI

InChI=1S/C18H21N3O3/c1-4-23-18(22)15-11-20-21(12-15)16-5-6-17(14(9-16)10-19)24-8-7-13(2)3/h5-6,9,11-13H,4,7-8H2,1-3H3