[3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C28H30O2 MolecularWeight: 398.5366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCC

Isomeric SMILES

CCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCC

InChI

InChI=1S/C28H30O2/c1-3-5-12-26-21-27(20-19-24(26)16-13-23-10-7-6-8-11-23)30-28(29)25-17-14-22(9-4-2)15-18-25/h6-8,10-11,19-22,25H,3-4,9,14-15,17-18H2,1-2H3