2-[methoxy(phenyl)phosphoryl]-3-[(1S)-1-methyl-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 2-[methoxy(phenyl)phosphoryl]-3-[(1S)-1-methyl-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 2-[methoxy(phenyl)phosphoryl]-3-[(1S)-1-methyl-2-oxo-cyclohexyl]propanoic acid CAS Name: 2-[methoxy(phenyl)phosphoryl]-3-[(1S)-1-methyl-2-oxocyclohexyl]propanoic acid IUPAC Name: 2-[methoxy(phenyl)phosphoryl]-3-[(1S)-1-methyl-2-oxocyclohexyl]propanoic acid Traditional Name: 3-[(1S)-2-keto-1-methyl-cyclohexyl]-2-[methoxy(phenyl)phosphoryl]propionic acid Formula: C17H23O5P MolecularWeight: 338.335281

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)CC(C(=O)O)P(=O)(C2=CC=CC=C2)OC

Isomeric SMILES

C[C@]1(CCCCC1=O)CC(C(=O)O)[P@@](=O)(C2=CC=CC=C2)OC

InChI

InChI=1S/C17H23O5P/c1-17(11-7-6-10-15(17)18)12-14(16(19)20)23(21,22-2)13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3,(H,19,20)/t14?,17-,23+/m0/s1