3-[2-oxidanylidene-5-(phenylmethyl)cyclohexyl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-5-(phenylmethyl)cyclohexyl]propanoic acid Openeye Name: 3-(5-benzyl-2-oxo-cyclohexyl)propanoic acid CAS Name: 3-[2-oxo-5-(phenylmethyl)cyclohexyl]propanoic acid IUPAC Name: 3-(5-benzyl-2-oxocyclohexyl)propanoic acid Traditional Name: 3-(5-benzyl-2-keto-cyclohexyl)propionic acid Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1CC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1CC(=O)C(CC1CC2=CC=CC=C2)CCC(=O)O

InChI

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