[(3S)-1-cyclohexyl-6-[(4-methoxyphenyl)methoxy]hex-1-yn-3-yl] pyridine-2-carboxylate

Systemtic Name: [(3S)-1-cyclohexyl-6-[(4-methoxyphenyl)methoxy]hex-1-yn-3-yl] pyridine-2-carboxylate Openeye Name: [(1S)-1-(2-cyclohexylethynyl)-4-[(4-methoxyphenyl)methoxy]butyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [(3S)-1-cyclohexyl-6-[(4-methoxyphenyl)methoxy]hex-1-yn-3-yl] ester IUPAC Name: [(3S)-1-cyclohexyl-6-[(4-methoxyphenyl)methoxy]hex-1-yn-3-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [(1S)-3-cyclohexyl-1-(3-p-anisyloxypropyl)prop-2-ynyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCCCC(C#CC2CCCCC2)OC(=O)C3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)COCCC[C@@H](C#CC2CCCCC2)OC(=O)C3=CC=CC=N3

InChI

InChI=1S/C26H31NO4/c1-29-23-15-13-22(14-16-23)20-30-19-7-10-24(17-12-21-8-3-2-4-9-21)31-26(28)25-11-5-6-18-27-25/h5-6,11,13-16,18,21,24H,2-4,7-10,19-20H2,1H3/t24-/m0/s1