3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-ynoic acid

Systemtic Name: 3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-ynoic acid Openeye Name: 3-[5-(4-benzyloxyphenyl)-1-cyclohexyl-pyrazol-3-yl]prop-2-ynoic acid CAS Name: 3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-propynoic acid IUPAC Name: 3-[1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-ynoic acid Traditional Name: 3-[5-(4-benzoxyphenyl)-1-cyclohexyl-pyrazol-3-yl]propiolic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC(=N2)C#CC(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=CC(=N2)C#CC(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3/c28-25(29)16-13-21-17-24(27(26-21)22-9-5-2-6-10-22)20-11-14-23(15-12-20)30-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,14-15,17,22H,2,5-6,9-10,18H2,(H,28,29)