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

Systemtic Name: methyl 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-pyridin-2-ylethynyl)cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(2-pyridyl)ethynyl]cyclohexanecarboxylate CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(2-pyridinyl)ethynyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-pyridin-2-ylethynyl)cyclohexane-1-carboxylate Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(2-pyridyl)ethynyl]cyclohexanecarboxylic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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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=N3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OC)C#CC3=CC=CC=N3)OC4CCCC4

InChI

InChI=1S/C27H31NO4/c1-30-24-11-10-21(19-25(24)32-23-8-3-4-9-23)27(17-14-22-7-5-6-18-28-22)15-12-20(13-16-27)26(29)31-2/h5-7,10-11,18-20,23H,3-4,8-9,12-13,15-16H2,1-2H3