ethyl 5-phenethyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-phenethyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-phenethyl-1H-pyrazole-3-carboxylate CAS Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-phenethyl-1H-pyrazole-3-carboxylate Traditional Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-2-18-14(17)13-10-12(15-16-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,15,16)