[(E)-4,4-dimethyl-2-phenoxy-1-pyridin-3-yl-pent-1-en-3-yl] 3-methylbutanoate

Systemtic Name: [(E)-4,4-dimethyl-2-phenoxy-1-pyridin-3-yl-pent-1-en-3-yl] 3-methylbutanoate Openeye Name: [(E)-1-tert-butyl-2-phenoxy-3-(3-pyridyl)allyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(E)-4,4-dimethyl-2-phenoxy-1-(3-pyridinyl)pent-1-en-3-yl] ester IUPAC Name: [(E)-4,4-dimethyl-2-phenoxy-1-pyridin-3-ylpent-1-en-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(E)-1-tert-butyl-2-phenoxy-3-(3-pyridyl)allyl] ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(C(=CC1=CN=CC=C1)OC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC(C)CC(=O)OC(/C(=C\C1=CN=CC=C1)/OC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C23H29NO3/c1-17(2)14-21(25)27-22(23(3,4)5)20(15-18-10-9-13-24-16-18)26-19-11-7-6-8-12-19/h6-13,15-17,22H,14H2,1-5H3/b20-15+