[(4S)-1-[(4-methoxyphenyl)methoxy]undec-5-yn-4-yl] pyridine-2-carboxylate

Systemtic Name: [(4S)-1-[(4-methoxyphenyl)methoxy]undec-5-yn-4-yl] pyridine-2-carboxylate Openeye Name: [(1S)-1-[3-[(4-methoxyphenyl)methoxy]propyl]oct-2-ynyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [(4S)-1-[(4-methoxyphenyl)methoxy]undec-5-yn-4-yl] ester IUPAC Name: [(4S)-1-[(4-methoxyphenyl)methoxy]undec-5-yn-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [(1S)-1-(3-p-anisyloxypropyl)oct-2-ynyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(CCCOCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=N2

Isomeric SMILES

CCCCCC#C[C@H](CCCOCC1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=N2

InChI

InChI=1S/C25H31NO4/c1-3-4-5-6-7-11-23(30-25(27)24-13-8-9-18-26-24)12-10-19-29-20-21-14-16-22(28-2)17-15-21/h8-9,13-18,23H,3-6,10,12,19-20H2,1-2H3/t23-/m1/s1