3-methyl-4-[(E)-2-pyridin-2-ylethenyl]-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one

Systemtic Name: 3-methyl-4-[(E)-2-pyridin-2-ylethenyl]-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Openeye Name: 3-methyl-4-[(E)-2-(2-pyridyl)vinyl]-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one CAS Name: 3-methyl-4-[(E)-2-(2-pyridinyl)ethenyl]-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one IUPAC Name: 3-methyl-4-[(E)-2-pyridin-2-ylethenyl]-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Traditional Name: 3-methyl-4-[(E)-2-(2-pyridyl)vinyl]-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCCC2C(=O)O1)C=CC3=CC=CC=N3

Isomeric SMILES

CC1C2C(CCCC2C(=O)O1)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C16H19NO2/c1-11-15-12(5-4-7-14(15)16(18)19-11)8-9-13-6-2-3-10-17-13/h2-3,6,8-12,14-15H,4-5,7H2,1H3/b9-8+