ethyl 2-[chloranyl-bis(fluoranyl)methyl]-3-phenyl-pyrrolo[2,1-a]isoquinoline-1-carboxylate

Systemtic Name: ethyl 2-[chloranyl-bis(fluoranyl)methyl]-3-phenyl-pyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: ethyl 2-[chloro(difluoro)methyl]-3-phenyl-pyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 2-[chloro(difluoro)methyl]-3-phenyl-1-pyrrolo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[chloro(difluoro)methyl]-3-phenylpyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 2-[chloro(difluoro)methyl]-3-phenyl-pyrrol[2,1-a]isoquinoline-1-carboxylic acid ethyl ester Formula: C22H16ClF2NO2 MolecularWeight: 399.817746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(F)(F)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(F)(F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H16ClF2NO2/c1-2-28-21(27)17-18(22(23,24)25)19(15-9-4-3-5-10-15)26-13-12-14-8-6-7-11-16(14)20(17)26/h3-13H,2H2,1H3