ethyl N-[(1R,3aS,7aS)-7-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,5,6-trimethyl-3-oxidanylidene-1,4,5,6,7,7a-hexahydro-2-benzofuran-3a-yl]carbamate

Systemtic Name: ethyl N-[(1R,3aS,7aS)-7-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,5,6-trimethyl-3-oxidanylidene-1,4,5,6,7,7a-hexahydro-2-benzofuran-3a-yl]carbamate Openeye Name: ethyl N-[(1R,3aS,7aS)-7-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-1,5,6-trimethyl-3-oxo-1,4,5,6,7,7a-hexahydroisobenzofuran-3a-yl]carbamate CAS Name: N-[(1R,3aS,7aS)-7-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,5,6-trimethyl-3-oxo-1,4,5,6,7,7a-hexahydroisobenzofuran-3a-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(1R,3aS,7aS)-7-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,5,6-trimethyl-3-oxo-1,4,5,6,7,7a-hexahydro-2-benzofuran-3a-yl]carbamate Traditional Name: N-[(1R,3aS,7aS)-7-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3-keto-1,5,6-trimethyl-1,4,5,6,7,7a-hexahydroisobenzofuran-3a-yl]carbamic acid ethyl ester Formula: C27H31FN2O4 MolecularWeight: 466.544443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC12CC(C(C(C1C(OC2=O)C)C=CC3=NC=C(C=C3)C4=CC(=CC=C4)F)C)C

Isomeric SMILES

CCOC(=O)N[C@@]12CC(C(C([C@@H]1[C@H](OC2=O)C)/C=C/C3=NC=C(C=C3)C4=CC(=CC=C4)F)C)C

InChI

InChI=1S/C27H31FN2O4/c1-5-33-26(32)30-27-14-16(2)17(3)23(24(27)18(4)34-25(27)31)12-11-22-10-9-20(15-29-22)19-7-6-8-21(28)13-19/h6-13,15-18,23-24H,5,14H2,1-4H3,(H,30,32)/b12-11+/t16?,17?,18-,23?,24+,27+/m1/s1