2-[4-[(2-oxidanylidenecycloheptyl)methyl]phenyl]propanoic acid

Systemtic Name: 2-[4-[(2-oxidanylidenecycloheptyl)methyl]phenyl]propanoic acid Openeye Name: 2-[4-[(2-oxocycloheptyl)methyl]phenyl]propanoic acid CAS Name: 2-[4-[(2-oxocycloheptyl)methyl]phenyl]propanoic acid IUPAC Name: 2-[4-[(2-oxocycloheptyl)methyl]phenyl]propanoic acid Traditional Name: 2-[4-[(2-ketocycloheptyl)methyl]phenyl]propionic acid Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC2CCCCCC2=O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CC2CCCCCC2=O)C(=O)O

InChI

InChI=1S/C17H22O3/c1-12(17(19)20)14-9-7-13(8-10-14)11-15-5-3-2-4-6-16(15)18/h7-10,12,15H,2-6,11H2,1H3,(H,19,20)