1-phenylprop-2-ynyl 2-(4-chlorophenyl)-3-methyl-3-phenoxy-butanoate

Systemtic Name: 1-phenylprop-2-ynyl 2-(4-chlorophenyl)-3-methyl-3-phenoxy-butanoate Openeye Name: 1-phenylprop-2-ynyl 2-(4-chlorophenyl)-3-methyl-3-phenoxy-butanoate CAS Name: 2-(4-chlorophenyl)-3-methyl-3-phenoxybutanoic acid 1-phenylprop-2-ynyl ester IUPAC Name: 1-phenylprop-2-ynyl 2-(4-chlorophenyl)-3-methyl-3-phenoxybutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-3-phenoxy-butyric acid 1-phenylprop-2-ynyl ester Formula: C26H23ClO3 MolecularWeight: 418.91202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClO3/c1-4-23(19-11-7-5-8-12-19)29-25(28)24(20-15-17-21(27)18-16-20)26(2,3)30-22-13-9-6-10-14-22/h1,5-18,23-24H,2-3H3