1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester IUPAC Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid 1-(3-phenoxyphenyl)prop-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/c1-4-24(20-9-8-12-23(17-20)29-22-10-6-5-7-11-22)30-26(28)25(18(2)3)19-13-15-21(27)16-14-19/h1,5-18,24-25H,2-3H3