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

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-[2-(N-benzyl-4-fluoro-anilino)-2-oxo-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-4-[2-(4-fluoro-N-(phenylmethyl)anilino)-2-oxoethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-benzyl-4-fluoroanilino)-2-oxoethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(N-benzyl-4-fluoro-anilino)-2-keto-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C30H25F2N3O3 MolecularWeight: 513.534606

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H25F2N3O3/c1-2-38-30(37)28-18-27-26(16-17-33(27)24-12-8-22(31)9-13-24)35(28)20-29(36)34(19-21-6-4-3-5-7-21)25-14-10-23(32)11-15-25/h3-18H,2,19-20H2,1H3