4'-(phenylmethyl)spiro[4H-isochromene-3,1'-cyclohexane]-1-one

Systemtic Name: 4'-(phenylmethyl)spiro[4H-isochromene-3,1'-cyclohexane]-1-one Openeye Name: 4-benzylspiro[cyclohexane-1,3'-isochromane]-1'-one CAS Name: 4'-(phenylmethyl)-1-spiro[3,4-dihydro-1H-2-benzopyran-3,1'-cyclohexane]one IUPAC Name: 4'-benzylspiro[4H-isochromene-3,1'-cyclohexane]-1-one Traditional Name: 4-benzylspiro[cyclohexane-1,3'-isochroman]-1'-one Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1CC3=CC=CC=C3)CC4=CC=CC=C4C(=O)O2

Isomeric SMILES

C1CC2(CCC1CC3=CC=CC=C3)CC4=CC=CC=C4C(=O)O2

InChI

InChI=1S/C21H22O2/c22-20-19-9-5-4-8-18(19)15-21(23-20)12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2