tert-butyl (1S,2S,3aR)-3,3-dicyano-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate

Systemtic Name: tert-butyl (1S,2S,3aR)-3,3-dicyano-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate Openeye Name: tert-butyl (1S,2S,3aR)-3,3-dicyano-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate CAS Name: (1S,2S,3aR)-3,3-dicyano-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S,3aR)-3,3-dicyano-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate Traditional Name: (1S,2S,3aR)-3,3-dicyano-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylic acid tert-butyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-24(2,3)30-23(29)22-21(18-10-5-4-6-11-18)25(15-26,16-27)20-14-13-17-9-7-8-12-19(17)28(20)22/h4-14,20-22H,1-3H3/t20-,21-,22+/m1/s1