4-[2-[2-ethanoyl-5-(pyridin-3-ylmethoxy)phenoxy]-4-methyl-phenyl]butanoate

Systemtic Name: 4-[2-[2-ethanoyl-5-(pyridin-3-ylmethoxy)phenoxy]-4-methyl-phenyl]butanoate Openeye Name: 4-[2-[2-acetyl-5-(3-pyridylmethoxy)phenoxy]-4-methyl-phenyl]butanoate CAS Name: 4-[2-[2-acetyl-5-(3-pyridinylmethoxy)phenoxy]-4-methylphenyl]butanoate IUPAC Name: 4-[2-[2-acetyl-5-(pyridin-3-ylmethoxy)phenoxy]-4-methylphenyl]butanoate Traditional Name: 4-[2-[2-acetyl-5-(3-pyridylmethoxy)phenoxy]-4-methyl-phenyl]butyrate Formula: C25H24NO5- MolecularWeight: 418.46176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C(=O)C

InChI

InChI=1S/C25H25NO5/c1-17-8-9-20(6-3-7-25(28)29)23(13-17)31-24-14-21(10-11-22(24)18(2)27)30-16-19-5-4-12-26-15-19/h4-5,8-15H,3,6-7,16H2,1-2H3,(H,28,29)/p-1