[2-(3-undecoxypyridin-4-yl)phenyl] 3-methylpentanoate

Systemtic Name: [2-(3-undecoxypyridin-4-yl)phenyl] 3-methylpentanoate Openeye Name: [2-(3-undecoxy-4-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-(3-undecoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-undecoxypyridin-4-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(3-undecoxy-4-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-9-10-11-12-15-20-31-27-22-29-19-18-25(27)24-16-13-14-17-26(24)32-28(30)21-23(3)5-2/h13-14,16-19,22-23H,4-12,15,20-21H2,1-3H3