(E)-5-chloranyl-2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-2-propan-2-yl-hex-4-enoate

Systemtic Name: (E)-5-chloranyl-2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-2-propan-2-yl-hex-4-enoate Openeye Name: (E)-5-chloro-2-[cyano-(3-phenoxyphenyl)methyl]-2-isopropyl-3,3-dimethyl-hex-4-enoate CAS Name: (E)-5-chloro-2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-2-propan-2-yl-4-hexenoate IUPAC Name: (E)-5-chloro-2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-2-propan-2-ylhex-4-enoate Traditional Name: (E)-5-chloro-2-[cyano-(3-phenoxyphenyl)methyl]-2-isopropyl-3,3-dimethyl-hex-4-enoate Formula: C25H27ClNO3- MolecularWeight: 424.93978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)(C(=O)[O-])C(C)(C)C=C(C)Cl

Isomeric SMILES

CC(C)C(C(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)(C(=O)[O-])C(C)(C)/C=C(\C)/Cl

InChI

InChI=1S/C25H28ClNO3/c1-17(2)25(23(28)29,24(4,5)15-18(3)26)22(16-27)19-10-9-13-21(14-19)30-20-11-7-6-8-12-20/h6-15,17,22H,1-5H3,(H,28,29)/p-1/b18-15+