tert-butyl 3-[1-(3-methoxy-2-phenylmethoxy-phenyl)-2,4-bis(oxidanylidene)cyclohexyl]propanoate

Systemtic Name: tert-butyl 3-[1-(3-methoxy-2-phenylmethoxy-phenyl)-2,4-bis(oxidanylidene)cyclohexyl]propanoate Openeye Name: tert-butyl 3-[1-(2-benzyloxy-3-methoxy-phenyl)-2,4-dioxo-cyclohexyl]propanoate CAS Name: 3-[1-(3-methoxy-2-phenylmethoxyphenyl)-2,4-dioxocyclohexyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(3-methoxy-2-phenylmethoxyphenyl)-2,4-dioxocyclohexyl]propanoate Traditional Name: 3-[1-(2-benzoxy-3-methoxy-phenyl)-2,4-diketo-cyclohexyl]propionic acid tert-butyl ester Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1(CCC(=O)CC1=O)C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CCC1(CCC(=O)CC1=O)C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32O6/c1-26(2,3)33-24(30)14-16-27(15-13-20(28)17-23(27)29)21-11-8-12-22(31-4)25(21)32-18-19-9-6-5-7-10-19/h5-12H,13-18H2,1-4H3