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

Systemtic Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexane-1-carboxylate Openeye Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexanecarboxylate CAS Name: 4-ethyl-1-cyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexane-1-carboxylate Traditional Name: 4-ethylcyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C27H28O2 MolecularWeight: 384.51002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O2/c1-3-5-11-25-20-26(29-27(28)24-16-12-21(4-2)13-17-24)19-18-23(25)15-14-22-9-7-6-8-10-22/h6-10,18-21,24H,3-4,12-13,16-17H2,1-2H3