ethyl 3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-ynoate

Systemtic Name: ethyl 3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-ynoate Openeye Name: ethyl 3-[5-(4-benzyloxyphenyl)-1-cyclohexyl-pyrazol-3-yl]prop-2-ynoate CAS Name: 3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-propynoic acid ethyl ester IUPAC Name: ethyl 3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-ynoate Traditional Name: 3-[5-(4-benzoxyphenyl)-1-cyclohexyl-pyrazol-3-yl]propiolic acid ethyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC1=NN(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C#CC1=NN(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H28N2O3/c1-2-31-27(30)18-15-23-19-26(29(28-23)24-11-7-4-8-12-24)22-13-16-25(17-14-22)32-20-21-9-5-3-6-10-21/h3,5-6,9-10,13-14,16-17,19,24H,2,4,7-8,11-12,20H2,1H3