methyl 1-[3-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-2-oxidanylidene-propyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-2-oxidanylidene-propyl]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-2-oxo-propyl]cyclohexanecarboxylate CAS Name: 1-[3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-2-oxopropyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-2-oxopropyl]cyclohexane-1-carboxylate Traditional Name: 1-[3-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-2-keto-propyl]cyclohexanecarboxylic acid methyl ester Formula: C25H29ClO3 MolecularWeight: 412.94896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(=O)CC2(CCCCC2)C(=O)OC)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC(=C1CC(=O)CC2(CCCCC2)C(=O)OC)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H29ClO3/c1-17-13-20(19-7-9-21(26)10-8-19)14-18(2)23(17)15-22(27)16-25(24(28)29-3)11-5-4-6-12-25/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3