ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C25H22FN3O5 MolecularWeight: 463.457683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(=O)NC3=CC4=C(C=C3)OCCO4)C=CN2C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(=O)NC3=CC4=C(C=C3)OCCO4)C=CN2C5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN3O5/c1-2-32-25(31)21-14-20-19(9-10-28(20)18-6-3-16(26)4-7-18)29(21)15-24(30)27-17-5-8-22-23(13-17)34-12-11-33-22/h3-10,13-14H,2,11-12,15H2,1H3,(H,27,30)