ethyl N-[(3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-oxidanylidene-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-6-yl]carbamate

Systemtic Name: ethyl N-[(3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-oxidanylidene-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-6-yl]carbamate Openeye Name: ethyl N-[(3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]benzofuran-6-yl]carbamate CAS Name: N-[(3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]benzofuran-6-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-6-yl]carbamate Traditional Name: N-[(3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-2-keto-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]benzofuran-6-yl]carbamic acid ethyl ester Formula: C28H31FN2O4 MolecularWeight: 478.555143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CCC2C(C1)CC3CC(=O)OC3C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3CC(=O)O[C@@H]3[C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H31FN2O4/c1-2-34-28(33)31-23-9-10-24-19(14-23)12-20-15-26(32)35-27(20)25(24)11-8-22-7-6-18(16-30-22)17-4-3-5-21(29)13-17/h3-8,11,13,16,19-20,23-25,27H,2,9-10,12,14-15H2,1H3,(H,31,33)/b11-8+/t19-,20-,23-,24-,25+,27+/m1/s1