ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C26H24FN3O3 MolecularWeight: 445.485463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(=O)N3CCC4=CC=CC=C4C3)C=CN2C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(=O)N3CCC4=CC=CC=C4C3)C=CN2C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN3O3/c1-2-33-26(32)24-15-23-22(12-14-29(23)21-9-7-20(27)8-10-21)30(24)17-25(31)28-13-11-18-5-3-4-6-19(18)16-28/h3-10,12,14-15H,2,11,13,16-17H2,1H3