3-phenylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-[3-(phenylcarbonyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-[3-(phenylcarbonyl)phenyl]cyclohexane-1-carboxylate Openeye Name: 3-phenylpropyl 1-(3-benzoylphenyl)-2-(3,3-dimethyl-2-oxo-pentanoyl)cyclohexanecarboxylate CAS Name: 1-(3-benzoylphenyl)-2-(3,3-dimethyl-1,2-dioxopentyl)-1-cyclohexanecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 1-(3-benzoylphenyl)-2-(3,3-dimethyl-2-oxopentanoyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-benzoylphenyl)-2-(2-keto-3,3-dimethyl-pentanoyl)cyclohexanecarboxylic acid 3-phenylpropyl ester Formula: C36H40O5 MolecularWeight: 552.6998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)C1CCCCC1(C2=CC=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)C1CCCCC1(C2=CC=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C36H40O5/c1-4-35(2,3)33(39)32(38)30-22-11-12-23-36(30,34(40)41-24-14-17-26-15-7-5-8-16-26)29-21-13-20-28(25-29)31(37)27-18-9-6-10-19-27/h5-10,13,15-16,18-21,25,30H,4,11-12,14,17,22-24H2,1-3H3