3-[2-oxidanylidene-1-(phenylmethyl)cyclohexyl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-1-(phenylmethyl)cyclohexyl]propanoic acid Openeye Name: 3-(1-benzyl-2-oxo-cyclohexyl)propanoic acid CAS Name: 3-[2-oxo-1-(phenylmethyl)cyclohexyl]propanoic acid IUPAC Name: 3-(1-benzyl-2-oxocyclohexyl)propanoic acid Traditional Name: 3-(1-benzyl-2-keto-cyclohexyl)propionic acid Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(CCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CCC(C(=O)C1)(CCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H20O3/c17-14-8-4-5-10-16(14,11-9-15(18)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,18,19)