[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methyl-pentanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methyl-pentanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methyl-pentanoate CAS Name: 2-(4-chlorophenyl)-3-methylpentanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylpentanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-valeric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO3/c1-3-18(2)25(19-12-14-21(27)15-13-19)26(29)31-24(17-28)20-8-7-11-23(16-20)30-22-9-5-4-6-10-22/h4-16,18,24-25H,3H2,1-2H3