[3-[(3-acetyloxyphenyl)-pyridin-2-yl-methyl]-4-butyl-phenyl] ethanoate

Systemtic Name: [3-[(3-acetyloxyphenyl)-pyridin-2-yl-methyl]-4-butyl-phenyl] ethanoate Openeye Name: [3-[(3-acetoxyphenyl)-(2-pyridyl)methyl]-4-butyl-phenyl] acetate CAS Name: acetic acid [3-[(3-acetyloxyphenyl)-(2-pyridinyl)methyl]-4-butylphenyl] ester IUPAC Name: [3-[(3-acetyloxyphenyl)-pyridin-2-ylmethyl]-4-butylphenyl] acetate Traditional Name: acetic acid [3-[(3-acetoxyphenyl)-(2-pyridyl)methyl]-4-butyl-phenyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)OC(=O)C)C(C2=CC(=CC=C2)OC(=O)C)C3=CC=CC=N3

Isomeric SMILES

CCCCC1=C(C=C(C=C1)OC(=O)C)C(C2=CC(=CC=C2)OC(=O)C)C3=CC=CC=N3

InChI

InChI=1S/C26H27NO4/c1-4-5-9-20-13-14-23(31-19(3)29)17-24(20)26(25-12-6-7-15-27-25)21-10-8-11-22(16-21)30-18(2)28/h6-8,10-17,26H,4-5,9H2,1-3H3