diethoxyphosphoryl 3-[(2S,4R)-2-[(3-methoxyphenyl)methyl]-4-methyl-6-oxidanylidene-cyclohexyl]propanoate

Systemtic Name: diethoxyphosphoryl 3-[(2S,4R)-2-[(3-methoxyphenyl)methyl]-4-methyl-6-oxidanylidene-cyclohexyl]propanoate Openeye Name: diethoxyphosphoryl 3-[(2S,4R)-2-[(3-methoxyphenyl)methyl]-4-methyl-6-oxo-cyclohexyl]propanoate CAS Name: 3-[(2S,4R)-2-[(3-methoxyphenyl)methyl]-4-methyl-6-oxocyclohexyl]propanoic acid diethoxyphosphoryl ester IUPAC Name: diethoxyphosphoryl 3-[(2S,4R)-2-[(3-methoxyphenyl)methyl]-4-methyl-6-oxocyclohexyl]propanoate Traditional Name: 3-[(4R,6S)-2-keto-6-m-anisyl-4-methyl-cyclohexyl]propionic acid diethoxyphosphoryl ester Formula: C22H33O7P MolecularWeight: 440.466981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC(=O)CCC1C(CC(CC1=O)C)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOP(=O)(OCC)OC(=O)CCC1[C@@H](C[C@H](CC1=O)C)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C22H33O7P/c1-5-27-30(25,28-6-2)29-22(24)11-10-20-18(12-16(3)13-21(20)23)14-17-8-7-9-19(15-17)26-4/h7-9,15-16,18,20H,5-6,10-14H2,1-4H3/t16-,18+,20?/m1/s1