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

Systemtic Name: ethyl N-[(3aS,4aS,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-oxidanylidene-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]benzimidazol-6-yl]carbamate Openeye Name: ethyl N-[(3aS,4aS,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]benzimidazol-6-yl]carbamate CAS Name: N-[(3aS,4aS,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]benzimidazol-6-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(3aS,4aS,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]benzimidazol-6-yl]carbamate Traditional Name: N-[(3aS,4aS,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-2-keto-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]benzimidazol-6-yl]carbamic acid ethyl ester Formula: C27H31FN4O3 MolecularWeight: 478.558443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)NC(=O)N3

Isomeric SMILES

CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]3[C@@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)NC(=O)N3

InChI

InChI=1S/C27H31FN4O3/c1-2-35-27(34)30-21-9-10-22-18(13-21)14-24-25(32-26(33)31-24)23(22)11-8-20-7-6-17(15-29-20)16-4-3-5-19(28)12-16/h3-8,11-12,15,18,21-25H,2,9-10,13-14H2,1H3,(H,30,34)(H2,31,32,33)/b11-8+/t18-,21+,22+,23-,24-,25+/m0/s1