[cyano-(3-phenoxyphenyl)methyl] 5,5-bis(chloranyl)-2-cyclopent-2-en-1-yl-3-methyl-pent-4-enoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 5,5-bis(chloranyl)-2-cyclopent-2-en-1-yl-3-methyl-pent-4-enoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 5,5-dichloro-2-cyclopent-2-en-1-yl-3-methyl-pent-4-enoate CAS Name: 5,5-dichloro-2-(1-cyclopent-2-enyl)-3-methyl-4-pentenoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 5,5-dichloro-2-cyclopent-2-en-1-yl-3-methylpent-4-enoate Traditional Name: 5,5-dichloro-2-cyclopent-2-en-1-yl-3-methyl-pent-4-enoic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H23Cl2NO3 MolecularWeight: 456.36102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(Cl)Cl)C(C1CCC=C1)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C=C(Cl)Cl)C(C1CCC=C1)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H23Cl2NO3/c1-17(14-23(26)27)24(18-8-5-6-9-18)25(29)31-22(16-28)19-10-7-13-21(15-19)30-20-11-3-2-4-12-20/h2-5,7-8,10-15,17-18,22,24H,6,9H2,1H3