O2-ethyl O8-propan-2-yl 6-[3,4-bis(fluoranyl)phenyl]carbonyl-1,4,4-trimethyl-5H-pyrrolo[2,3-d]azepine-2,8-dicarboxylate

Systemtic Name: O2-ethyl O8-propan-2-yl 6-[3,4-bis(fluoranyl)phenyl]carbonyl-1,4,4-trimethyl-5H-pyrrolo[2,3-d]azepine-2,8-dicarboxylate Openeye Name: O2-ethyl O8-isopropyl 6-(3,4-difluorobenzoyl)-1,4,4-trimethyl-5H-pyrrolo[2,3-d]azepine-2,8-dicarboxylate CAS Name: 6-[(3,4-difluorophenyl)-oxomethyl]-1,4,4-trimethyl-5H-pyrrolo[2,3-d]azepine-2,8-dicarboxylic acid O2-ethyl ester O8-propan-2-yl ester IUPAC Name: 2-O-ethyl 8-O-propan-2-yl 6-(3,4-difluorobenzoyl)-1,4,4-trimethyl-5H-pyrrolo[2,3-d]azepine-2,8-dicarboxylate Traditional Name: 6-(3,4-difluorobenzoyl)-1,4,4-trimethyl-5H-pyrrol[2,3-d]azepine-2,8-dicarboxylic acid O2-ethyl ester O8-isopropyl ester Formula: C25H28F2N2O5 MolecularWeight: 474.497026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C)C(=CN(CC2(C)C)C(=O)C3=CC(=C(C=C3)F)F)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C)C(=CN(CC2(C)C)C(=O)C3=CC(=C(C=C3)F)F)C(=O)OC(C)C

InChI

InChI=1S/C25H28F2N2O5/c1-7-33-24(32)20-11-17-21(28(20)6)16(23(31)34-14(2)3)12-29(13-25(17,4)5)22(30)15-8-9-18(26)19(27)10-15/h8-12,14H,7,13H2,1-6H3