methyl 5-[4-(4-chlorophenyl)carbonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoate

Systemtic Name: methyl 5-[4-(4-chlorophenyl)carbonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoate Openeye Name: methyl 5-[4-(4-chlorobenzoyl)-3,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoate CAS Name: 5-[4-[(4-chlorophenyl)-oxomethyl]-3,5-dimethylphenoxy]-2,2-dimethylpentanoic acid methyl ester IUPAC Name: methyl 5-[4-(4-chlorobenzoyl)-3,5-dimethylphenoxy]-2,2-dimethylpentanoate Traditional Name: 5-[4-(4-chlorobenzoyl)-3,5-dimethyl-phenoxy]-2,2-dimethyl-valeric acid methyl ester Formula: C23H27ClO4 MolecularWeight: 402.91108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)C)OCCCC(C)(C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)C)OCCCC(C)(C)C(=O)OC

InChI

InChI=1S/C23H27ClO4/c1-15-13-19(28-12-6-11-23(3,4)22(26)27-5)14-16(2)20(15)21(25)17-7-9-18(24)10-8-17/h7-10,13-14H,6,11-12H2,1-5H3