methyl 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-phenylethynyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-phenylethynyl)cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(2-phenylethynyl)cyclohexanecarboxylate CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-phenylethynyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-phenylethynyl)cyclohexane-1-carboxylate Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(2-phenylethynyl)cyclohexanecarboxylic acid methyl ester Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OC)C#CC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OC)C#CC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C28H32O4/c1-30-25-13-12-23(20-26(25)32-24-10-6-7-11-24)28(17-14-21-8-4-3-5-9-21)18-15-22(16-19-28)27(29)31-2/h3-5,8-9,12-13,20,22,24H,6-7,10-11,15-16,18-19H2,1-2H3