ethyl (E)-3-[(3R,3aR)-3-(3-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[(3R,3aR)-3-(3-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate Openeye Name: ethyl (E)-3-[(3R,3aR)-3-(3-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate CAS Name: (E)-3-[(3R,3aR)-3-(3-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3R,3aR)-3-(3-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate Traditional Name: (E)-3-[(3R,3aR)-3-(3-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenz[g]indazol-2-yl]but-2-enoic acid ethyl ester Formula: C24H25FN2O3 MolecularWeight: 408.465303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(C2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)/C=C(\C)/N1[C@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H25FN2O3/c1-4-30-22(28)12-15(2)27-24(17-6-5-7-18(25)13-17)20-11-9-16-8-10-19(29-3)14-21(16)23(20)26-27/h5-8,10,12-14,20,24H,4,9,11H2,1-3H3/b15-12+/t20-,24-/m0/s1