(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(4-methylpyridin-2-yl)ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one

Systemtic Name: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(4-methylpyridin-2-yl)ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one Openeye Name: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(4-methyl-2-pyridyl)vinyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-1-one CAS Name: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-1-one IUPAC Name: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(4-methylpyridin-2-yl)ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one Traditional Name: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(4-methyl-2-pyridyl)vinyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benz[f]isobenzofuran-1-one Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC3CCCCC3C2C=CC4=NC=CC(=C4)C)C(=O)O1

Isomeric SMILES

C[C@@H]1[C@@H]2[C@@H](C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/C4=NC=CC(=C4)C)C(=O)O1

InChI

InChI=1S/C21H27NO2/c1-13-9-10-22-16(11-13)7-8-18-17-6-4-3-5-15(17)12-19-20(18)14(2)24-21(19)23/h7-11,14-15,17-20H,3-6,12H2,1-2H3/b8-7+/t14-,15+,17-,18+,19-,20+/m1/s1