[(E)-2-(2-butyl-3-chloranyl-phenoxy)-1-phenyl-3-pyridin-3-yl-prop-2-enyl] 3-methylbutanoate

Systemtic Name: [(E)-2-(2-butyl-3-chloranyl-phenoxy)-1-phenyl-3-pyridin-3-yl-prop-2-enyl] 3-methylbutanoate Openeye Name: [(E)-2-(2-butyl-3-chloro-phenoxy)-1-phenyl-3-(3-pyridyl)allyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(E)-2-(2-butyl-3-chlorophenoxy)-1-phenyl-3-(3-pyridinyl)prop-2-enyl] ester IUPAC Name: [(E)-2-(2-butyl-3-chlorophenoxy)-1-phenyl-3-pyridin-3-ylprop-2-enyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(E)-2-(2-butyl-3-chloro-phenoxy)-1-phenyl-3-(3-pyridyl)allyl] ester Formula: C29H32ClNO3 MolecularWeight: 478.02228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1Cl)OC(=CC2=CN=CC=C2)C(C3=CC=CC=C3)OC(=O)CC(C)C

Isomeric SMILES

CCCCC1=C(C=CC=C1Cl)O/C(=C/C2=CN=CC=C2)/C(C3=CC=CC=C3)OC(=O)CC(C)C

InChI

InChI=1S/C29H32ClNO3/c1-4-5-14-24-25(30)15-9-16-26(24)33-27(19-22-11-10-17-31-20-22)29(23-12-7-6-8-13-23)34-28(32)18-21(2)3/h6-13,15-17,19-21,29H,4-5,14,18H2,1-3H3/b27-19+