3-methylbutyl 3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: 3-methylbutyl 3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-2-phenyl-propanoate Openeye Name: isopentyl 3-(2-chloro-6-methyl-phenyl)-3-oxo-2-phenyl-propanoate CAS Name: 3-(2-chloro-6-methylphenyl)-3-oxo-2-phenylpropanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(2-chloro-6-methylphenyl)-3-oxo-2-phenylpropanoate Traditional Name: 3-(2-chloro-6-methyl-phenyl)-3-keto-2-phenyl-propionic acid isoamyl ester Formula: C21H23ClO3 MolecularWeight: 358.85852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C(=O)C(C2=CC=CC=C2)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)C(=O)C(C2=CC=CC=C2)C(=O)OCCC(C)C

InChI

InChI=1S/C21H23ClO3/c1-14(2)12-13-25-21(24)19(16-9-5-4-6-10-16)20(23)18-15(3)8-7-11-17(18)22/h4-11,14,19H,12-13H2,1-3H3