(3S)-3-[(1R)-3-methyl-1-oxidanyl-butyl]-8-phenylmethoxy-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-[(1R)-3-methyl-1-oxidanyl-butyl]-8-phenylmethoxy-3,4-dihydroisochromen-1-one Openeye Name: (3S)-8-benzyloxy-3-[(1R)-1-hydroxy-3-methyl-butyl]isochroman-1-one CAS Name: (3S)-3-[(1R)-1-hydroxy-3-methylbutyl]-8-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[(1R)-1-hydroxy-3-methylbutyl]-8-phenylmethoxy-3,4-dihydroisochromen-1-one Traditional Name: (3S)-8-benzoxy-3-[(1R)-1-hydroxy-3-methyl-butyl]isochroman-1-one Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)OCC3=CC=CC=C3)C(=O)O1)O

Isomeric SMILES

CC(C)C[C@H]([C@@H]1CC2=C(C(=CC=C2)OCC3=CC=CC=C3)C(=O)O1)O

InChI

InChI=1S/C21H24O4/c1-14(2)11-17(22)19-12-16-9-6-10-18(20(16)21(23)25-19)24-13-15-7-4-3-5-8-15/h3-10,14,17,19,22H,11-13H2,1-2H3/t17-,19+/m1/s1