ethyl (3aR,6aR)-1-[4-[4-(3-oxidanyl-4,5-dihydro-3H-pyridazin-2-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate

Systemtic Name: ethyl (3aR,6aR)-1-[4-[4-(3-oxidanyl-4,5-dihydro-3H-pyridazin-2-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate Openeye Name: ethyl (3aR,6aR)-1-[4-[4-(3-hydroxy-4,5-dihydro-3H-pyridazin-2-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate CAS Name: (3aR,6aR)-1-[4-[4-(3-hydroxy-4,5-dihydro-3H-pyridazin-2-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,6aR)-1-[4-[4-(3-hydroxy-4,5-dihydro-3H-pyridazin-2-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate Traditional Name: (3aR,6aR)-1-[4-[4-(3-hydroxy-4,5-dihydro-3H-pyridazin-2-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid ethyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2CCN(C2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(CCC=N5)O

Isomeric SMILES

CCOC(=O)N1C[C@H]2CCN([C@H]2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(CCC=N5)O

InChI

InChI=1S/C25H30N4O3/c1-2-32-25(31)27-16-20-13-15-28(23(20)17-27)21-9-5-18(6-10-21)19-7-11-22(12-8-19)29-24(30)4-3-14-26-29/h5-12,14,20,23-24,30H,2-4,13,15-17H2,1H3/t20-,23+,24?/m1/s1