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

Systemtic Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C29H32O2 MolecularWeight: 412.56318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C29H32O2/c1-3-5-7-13-27-22-28(21-20-25(27)17-14-24-11-8-6-9-12-24)31-29(30)26-18-15-23(10-4-2)16-19-26/h6,8-9,11-12,20-23,26H,3-5,10,15-16,18-19H2,1-2H3