ethyl 1-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-[2-[4-fluoro-N-[(4-methoxyphenyl)methyl]anilino]-2-oxo-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[2-[4-fluoro-N-[(4-methoxyphenyl)methyl]anilino]-2-oxoethyl]-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-fluoro-N-[(4-methoxyphenyl)methyl]anilino]-2-oxoethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(4-fluoro-N-p-anisyl-anilino)-2-keto-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C31H27F2N3O4 MolecularWeight: 543.560586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(=O)N(CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)F)C=CN2C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(=O)N(CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)F)C=CN2C5=CC=C(C=C5)F

InChI

InChI=1S/C31H27F2N3O4/c1-3-40-31(38)29-18-28-27(16-17-34(28)24-10-6-22(32)7-11-24)36(29)20-30(37)35(25-12-8-23(33)9-13-25)19-21-4-14-26(39-2)15-5-21/h4-18H,3,19-20H2,1-2H3