methyl 3-[4-[2-[5-[(E)-N-methoxy-C-phenyl-carbonimidoyl]pyrrolo[2,3-b]pyridin-1-yl]ethoxy]phenyl]-2-[2,2,2-tris(fluoranyl)ethoxy]propanoate

Systemtic Name: methyl 3-[4-[2-[5-[(E)-N-methoxy-C-phenyl-carbonimidoyl]pyrrolo[2,3-b]pyridin-1-yl]ethoxy]phenyl]-2-[2,2,2-tris(fluoranyl)ethoxy]propanoate Openeye Name: methyl 3-[4-[2-[5-[(E)-N-methoxy-C-phenyl-carbonimidoyl]pyrrolo[2,3-b]pyridin-1-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoate CAS Name: 3-[4-[2-[5-[(E)-methoxyimino(phenyl)methyl]-1-pyrrolo[2,3-b]pyridinyl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[5-[(E)-N-methoxy-C-phenylcarbonimidoyl]pyrrolo[2,3-b]pyridin-1-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoate Traditional Name: 3-[4-[2-[5-[(E)-N-methoxy-C-phenyl-carbonimidoyl]pyrrolo[2,3-b]pyridin-1-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propionic acid methyl ester Formula: C29H28F3N3O5 MolecularWeight: 555.54493

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCCN2C=CC3=CC(=CN=C32)C(=NOC)C4=CC=CC=C4)OCC(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCCN2C=CC3=CC(=CN=C32)/C(=N/OC)/C4=CC=CC=C4)OCC(F)(F)F

InChI

InChI=1S/C29H28F3N3O5/c1-37-28(36)25(40-19-29(30,31)32)16-20-8-10-24(11-9-20)39-15-14-35-13-12-22-17-23(18-33-27(22)35)26(34-38-2)21-6-4-3-5-7-21/h3-13,17-18,25H,14-16,19H2,1-2H3/b34-26+