3-(4-cyclohexylphenyl)-3-oxidanyl-2-phenyl-2-propan-2-yloxy-hept-4-ynoic acid

Systemtic Name: 3-(4-cyclohexylphenyl)-3-oxidanyl-2-phenyl-2-propan-2-yloxy-hept-4-ynoic acid Openeye Name: 3-(4-cyclohexylphenyl)-3-hydroxy-2-isopropoxy-2-phenyl-hept-4-ynoic acid CAS Name: 3-(4-cyclohexylphenyl)-3-hydroxy-2-phenyl-2-propan-2-yloxy-4-heptynoic acid IUPAC Name: 3-(4-cyclohexylphenyl)-3-hydroxy-2-phenyl-2-propan-2-yloxyhept-4-ynoic acid Traditional Name: 3-(4-cyclohexylphenyl)-3-hydroxy-2-isopropoxy-2-phenyl-hept-4-ynoic acid Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CC=C(C=C1)C2CCCCC2)(C(C3=CC=CC=C3)(C(=O)O)OC(C)C)O

Isomeric SMILES

CCC#CC(C1=CC=C(C=C1)C2CCCCC2)(C(C3=CC=CC=C3)(C(=O)O)OC(C)C)O

InChI

InChI=1S/C28H34O4/c1-4-5-20-27(31,24-18-16-23(17-19-24)22-12-8-6-9-13-22)28(26(29)30,32-21(2)3)25-14-10-7-11-15-25/h7,10-11,14-19,21-22,31H,4,6,8-9,12-13H2,1-3H3,(H,29,30)