[2-(3-dodecoxypyridin-4-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(3-dodecoxy-4-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(3-dodecoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(3-lauryloxy-4-pyridyl)phenyl] ester Formula: C30H45NO3 MolecularWeight: 467.6832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C30H45NO3/c1-4-6-7-8-9-10-11-12-13-16-23-33-29-24-31-22-21-27(29)26-17-14-15-18-28(26)34-30(32)20-19-25(3)5-2/h14-15,17-18,21-22,24-25H,4-13,16,19-20,23H2,1-3H3